2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide

C124H117ClF4N20O10 — CID 160911128

IUPAC2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3=Nc4cnccc4C3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C26H21FN4O2.C25H24ClN3O2.C25H25FN4O3.C24H24FN5O.C24H23FN4O2/c1-2-33-25-13-22(16-3-6-19(27)7-4-16)31-23-12-18(5-8-21(23)25)26(32)29-14-20-11-17-9-10-28-15-24(17)30-20;1-2-31-24-16-22(17-7-10-19(26)11-8-17)29-23-15-18(9-12-21(23)24)25(30)28-14-4-6-20-5-3-13-27-20;1-3-33-23-14-22(19-13-24(32-2)29-15-20(19)26)30-21-12-16(8-9-18(21)23)25(31)28-11-5-7-17-6-4-10-27-17;1-2-4-20-19-11-8-17(24(31)28-12-3-5-22-26-13-14-27-22)15-21(19)30-23(29-20)16-6-9-18(25)10-7-16;1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h3-10,12-13,15H,2,11,14H2,1H3,(H,29,32);3,7-13,15-16H,2,4-6,14H2,1H3,(H,28,30);4,8-10,12-15H,3,5-7,11H2,1-2H3,(H,28,31);6-11,13-15H,2-5,12H2,1H3,(H,26,27)(H,28,31);5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeySQUHKCRBDPTLLF-UHFFFAOYSA-N
MW2158.87 g/mol
LogP24.43
Rot. Bonds39

About 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide

2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide (PubChem CID 160911128) has the molecular formula C124H117ClF4N20O10 and a molecular weight of 2158.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide
PubChem CID160911128
Molecular FormulaC124H117ClF4N20O10
Molecular Weight2158.87 g/mol
Exact Mass2156.89
IUPAC Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3=Nc4cnccc4C3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C26H21FN4O2.C25H24ClN3O2.C25H25FN4O3.C24H24FN5O.C24H23FN4O2/c1-2-33-25-13-22(16-3-6-19(27)7-4-16)31-23-12-18(5-8-21(23)25)26(32)29-14-20-11-17-9-10-28-15-24(17)30-20;1-2-31-24-16-22(17-7-10-19(26)11-8-17)29-23-15-18(9-12-21(23)24)25(30)28-14-4-6-20-5-3-13-27-20;1-3-33-23-14-22(19-13-24(32-2)29-15-20(19)26)30-21-12-16(8-9-18(21)23)25(31)28-11-5-7-17-6-4-10-27-17;1-2-4-20-19-11-8-17(24(31)28-12-3-5-22-26-13-14-27-22)15-21(19)30-23(29-20)16-6-9-18(25)10-7-16;1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h3-10,12-13,15H,2,11,14H2,1H3,(H,29,32);3,7-13,15-16H,2,4-6,14H2,1H3,(H,28,30);4,8-10,12-15H,3,5-7,11H2,1-2H3,(H,28,31);6-11,13-15H,2-5,12H2,1H3,(H,26,27)(H,28,31);5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeySQUHKCRBDPTLLF-UHFFFAOYSA-N
XLogP24.43
TPSA389.21 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.87
LogP ≤ 524.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122431360
4-ethoxy-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431365
4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122431374
4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431454
2-(3-chloro-4-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122431657
4-ethoxy-2-(4-fluorophenyl)-N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]quinoline-7-carboxamide
CID 122431682
2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423968
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methyl-3-pyridinyl)quinoline-7-carboxamide
CID 122431378
2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide
CID 122431436
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide
CID 122431438
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide
CID 122431471
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide
CID 122431690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide (CID 160911128) is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide is CCCc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NC=CC3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3=Nc4cnccc4C3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide?
The InChIKey is SQUHKCRBDPTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2.C25H24ClN3O2.C25H25FN4O3.C24H24FN5O.C24H23FN4O2/c1-2-33-25-13-22(16-3-6-19(27)7-4-16)31-23-12-18(5-8-21(23)25)26(32)29-14-20-11-17-9-10-28-15-24(17)30-20;1-2-31-24-16-22(17-7-10-19(26)11-8-17)29-23-15-18(9-12-21(23)24)25(30)28-14-4-6-20-5-3-13-27-20;1-3-33-23-14-22(19-13-24(32-2)29-15-20(19)26)30-21-12-16(8-9-18(21)23)25(31)28-11-5-7-17-6-4-10-27-17;1-2-4-20-19-11-8-17(24(31)28-12-3-5-22-26-13-14-27-22)15-21(19)30-23(29-20)16-6-9-18(25)10-7-16;1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h3-10,12-13,15H,2,11,14H2,1H3,(H,29,32);3,7-13,15-16H,2,4-6,14H2,1H3,(H,28,30);4,8-10,12-15H,3,5-7,11H2,1-2H3,(H,28,31);6-11,13-15H,2-5,12H2,1H3,(H,26,27)(H,28,31);5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide?
2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide has a molecular weight of 2158.87 g/mol, XLogP of 24.43, 39 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(3H-pyrrol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-pyrrolo[2,3-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-propylquinazoline-7-carboxamide is sourced from PubChem (CID 160911128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).