2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine

C75H83ClN12O14 — CID 161238750

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCCOc1cc(C2=CCOCC2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)O)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)OC)ccc12.CCOc1cc(Cl)nc2cc(C(=O)OC)ccc12.NCCCc1ncn[nH]1
InChIInChI=1S/C22H25N5O3.C18H19NO4.C17H17NO4.C13H12ClNO3.C5H10N4/c1-2-30-20-13-18(15-7-10-29-11-8-15)26-19-12-16(5-6-17(19)20)22(28)23-9-3-4-21-24-14-25-27-21;1-3-23-17-11-15(12-6-8-22-9-7-12)19-16-10-13(18(20)21-2)4-5-14(16)17;1-2-22-16-10-14(11-5-7-21-8-6-11)18-15-9-12(17(19)20)3-4-13(15)16;1-3-18-11-7-12(14)15-10-6-8(13(16)17-2)4-5-9(10)11;6-3-1-2-5-7-4-8-9-5/h5-7,12-14H,2-4,8-11H2,1H3,(H,23,28)(H,24,25,27);4-6,10-11H,3,7-9H2,1-2H3;3-5,9-10H,2,6-8H2,1H3,(H,19,20);4-7H,3H2,1-2H3;4H,1-3,6H2,(H,7,8,9)
InChIKeyUZSICDXTQQZZIV-UHFFFAOYSA-N
MW1412.01 g/mol
LogP12.05
Rot. Bonds22

About 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine

2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 161238750) has the molecular formula C75H83ClN12O14 and a molecular weight of 1412.01 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID161238750
Molecular FormulaC75H83ClN12O14
Molecular Weight1412.01 g/mol
Exact Mass1410.58
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCCOc1cc(C2=CCOCC2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)O)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)OC)ccc12.CCOc1cc(Cl)nc2cc(C(=O)OC)ccc12.NCCCc1ncn[nH]1
InChIInChI=1S/C22H25N5O3.C18H19NO4.C17H17NO4.C13H12ClNO3.C5H10N4/c1-2-30-20-13-18(15-7-10-29-11-8-15)26-19-12-16(5-6-17(19)20)22(28)23-9-3-4-21-24-14-25-27-21;1-3-23-17-11-15(12-6-8-22-9-7-12)19-16-10-13(18(20)21-2)4-5-14(16)17;1-2-22-16-10-14(11-5-7-21-8-6-11)18-15-9-12(17(19)20)3-4-13(15)16;1-3-18-11-7-12(14)15-10-6-8(13(16)17-2)4-5-9(10)11;6-3-1-2-5-7-4-8-9-5/h5-7,12-14H,2-4,8-11H2,1H3,(H,23,28)(H,24,25,27);4-6,10-11H,3,7-9H2,1-2H3;3-5,9-10H,2,6-8H2,1H3,(H,19,20);4-7H,3H2,1-2H3;4H,1-3,6H2,(H,7,8,9)
InChIKeyUZSICDXTQQZZIV-UHFFFAOYSA-N
XLogP12.05
TPSA344.33 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.01
LogP ≤ 512.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431382
4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431583
4-ethoxy-2-(3-fluoro-2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164628
2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122423976
4-ethoxy-2-(6-methoxy-2-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431400
4-ethoxy-2-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431459
2-(5-chlorothiophen-2-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431463
4-ethoxy-2-pyridin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431470
2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431474
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431478
4-ethoxy-2-(3-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431665
2-(5-chloro-2-methoxy-4-pyridinyl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431667

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 161238750) is 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine is CCOc1cc(C2=CCOCC2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)O)ccc12.CCOc1cc(C2=CCOCC2)nc2cc(C(=O)OC)ccc12.CCOc1cc(Cl)nc2cc(C(=O)OC)ccc12.NCCCc1ncn[nH]1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is UZSICDXTQQZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C18H19NO4.C17H17NO4.C13H12ClNO3.C5H10N4/c1-2-30-20-13-18(15-7-10-29-11-8-15)26-19-12-16(5-6-17(19)20)22(28)23-9-3-4-21-24-14-25-27-21;1-3-23-17-11-15(12-6-8-22-9-7-12)19-16-10-13(18(20)21-2)4-5-14(16)17;1-2-22-16-10-14(11-5-7-21-8-6-11)18-15-9-12(17(19)20)3-4-13(15)16;1-3-18-11-7-12(14)15-10-6-8(13(16)17-2)4-5-9(10)11;6-3-1-2-5-7-4-8-9-5/h5-7,12-14H,2-4,8-11H2,1H3,(H,23,28)(H,24,25,27);4-6,10-11H,3,7-9H2,1-2H3;3-5,9-10H,2,6-8H2,1H3,(H,19,20);4-7H,3H2,1-2H3;4H,1-3,6H2,(H,7,8,9).
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 1412.01 g/mol, XLogP of 12.05, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 161238750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).