2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

C122H110Cl5FN24O7 — CID 161169537

IUPAC2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12.CCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.CCOc1cc(-c2cc(Cl)ccc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.COc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C27H23ClN4O.C25H21ClN6O.C24H22ClFN4O2.C24H24ClN5O.C22H20ClN5O2/c1-2-3-20-14-24(19-5-8-22(28)9-6-19)31-25-15-21(7-10-23(20)25)27(33)30-16-18-4-11-26-29-12-13-32(26)17-18;1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23;1-2-32-22-14-21(18-13-16(25)6-8-19(18)26)30-20-12-15(5-7-17(20)22)24(31)29-9-3-4-23-27-10-11-28-23;1-2-4-17-13-21(16-6-9-19(25)10-7-16)29-22-14-18(8-11-20(17)22)24(31)26-12-3-5-23-27-15-28-30-23;1-30-22-17-9-6-15(21(29)26-10-2-3-19-24-11-12-25-19)13-18(17)27-20(28-22)14-4-7-16(23)8-5-14/h4-15,17H,2-3,16H2,1H3,(H,30,33);4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30);5-8,10-14H,2-4,9H2,1H3,(H,27,28)(H,29,31);6-11,13-15H,2-5,12H2,1H3,(H,26,31)(H,27,28,30);4-9,11-13H,2-3,10H2,1H3,(H,24,25)(H,26,29)
InChIKeyUQZNELBNYZKNRO-UHFFFAOYSA-N
MW2220.65 g/mol
LogP25.40
Rot. Bonds35

About 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 161169537) has the molecular formula C122H110Cl5FN24O7 and a molecular weight of 2220.65 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID161169537
Molecular FormulaC122H110Cl5FN24O7
Molecular Weight2220.65 g/mol
Exact Mass2216.74
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12.CCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.CCOc1cc(-c2cc(Cl)ccc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.COc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C27H23ClN4O.C25H21ClN6O.C24H22ClFN4O2.C24H24ClN5O.C22H20ClN5O2/c1-2-3-20-14-24(19-5-8-22(28)9-6-19)31-25-15-21(7-10-23(20)25)27(33)30-16-18-4-11-26-29-12-13-32(26)17-18;1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23;1-2-32-22-14-21(18-13-16(25)6-8-19(18)26)30-20-12-15(5-7-17(20)22)24(31)29-9-3-4-23-27-10-11-28-23;1-2-4-17-13-21(16-6-9-19(25)10-7-16)29-22-14-18(8-11-20(17)22)24(31)26-12-3-5-23-27-15-28-30-23;1-30-22-17-9-6-15(21(29)26-10-2-3-19-24-11-12-25-19)13-18(17)27-20(28-22)14-4-7-16(23)8-5-14/h4-15,17H,2-3,16H2,1H3,(H,30,33);4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30);5-8,10-14H,2-4,9H2,1H3,(H,27,28)(H,29,31);6-11,13-15H,2-5,12H2,1H3,(H,26,31)(H,27,28,30);4-9,11-13H,2-3,10H2,1H3,(H,24,25)(H,26,29)
InChIKeyUQZNELBNYZKNRO-UHFFFAOYSA-N
XLogP25.40
TPSA411.99 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.65
LogP ≤ 525.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (CID 161169537) is 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is CCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCCc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12.CCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.CCOc1cc(-c2cc(Cl)ccc2F)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.COc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is UQZNELBNYZKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O.C25H21ClN6O.C24H22ClFN4O2.C24H24ClN5O.C22H20ClN5O2/c1-2-3-20-14-24(19-5-8-22(28)9-6-19)31-25-15-21(7-10-23(20)25)27(33)30-16-18-4-11-26-29-12-13-32(26)17-18;1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23;1-2-32-22-14-21(18-13-16(25)6-8-19(18)26)30-20-12-15(5-7-17(20)22)24(31)29-9-3-4-23-27-10-11-28-23;1-2-4-17-13-21(16-6-9-19(25)10-7-16)29-22-14-18(8-11-20(17)22)24(31)26-12-3-5-23-27-15-28-30-23;1-30-22-17-9-6-15(21(29)26-10-2-3-19-24-11-12-25-19)13-18(17)27-20(28-22)14-4-7-16(23)8-5-14/h4-15,17H,2-3,16H2,1H3,(H,30,33);4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30);5-8,10-14H,2-4,9H2,1H3,(H,27,28)(H,29,31);6-11,13-15H,2-5,12H2,1H3,(H,26,31)(H,27,28,30);4-9,11-13H,2-3,10H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 2220.65 g/mol, XLogP of 25.40, 35 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;2-(4-chlorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-propylquinoline-7-carboxamide;2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-methoxyquinazoline-7-carboxamide;2-(4-chlorophenyl)-4-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 161169537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).