1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride

C28H37ClN4O3 — CID 67537611

IUPAC1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)cc(C(=O)NC)c4ccc(OC)cc43)CC2)cc1.Cl
InChIInChI=1S/C28H36N4O3.ClH/c1-4-20-5-7-21(8-6-20)19-30-22-11-13-31(14-12-22)15-16-32-26-17-23(35-3)9-10-24(26)25(18-27(32)33)28(34)29-2;/h5-10,17-18,22,30H,4,11-16,19H2,1-3H3,(H,29,34);1H
InChIKeyHUTCDALGTDMQLQ-UHFFFAOYSA-N
MW513.08 g/mol
LogP3.61
Rot. Bonds9

About 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride (PubChem CID 67537611) has the molecular formula C28H37ClN4O3 and a molecular weight of 513.08 g/mol. Its IUPAC name is 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
PubChem CID67537611
Molecular FormulaC28H37ClN4O3
Molecular Weight513.08 g/mol
Exact Mass512.26
IUPAC Name1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)cc(C(=O)NC)c4ccc(OC)cc43)CC2)cc1.Cl
InChIInChI=1S/C28H36N4O3.ClH/c1-4-20-5-7-21(8-6-20)19-30-22-11-13-31(14-12-22)15-16-32-26-17-23(35-3)9-10-24(26)25(18-27(32)33)28(34)29-2;/h5-10,17-18,22,30H,4,11-16,19H2,1-3H3,(H,29,34);1H
InChIKeyHUTCDALGTDMQLQ-UHFFFAOYSA-N
XLogP3.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.08
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
CID 59397946
7-methoxy-N-methyl-2-oxo-1-[2-[4-[(4-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 67537347
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
CID 67539164
7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67538825
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-[4-(2-hydroxyethylcarbamoyl)-7-methoxy-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-N-(2-hydroxyethyl)-7-methoxy-2-oxoquinoline-4-carboxamide
CID 158569939
(E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-4-yl]prop-2-enal
CID 88867620
N-methyl-2-oxo-1-[2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide;hydrochloride
CID 67539033
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride (CID 67537611) is 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride is CCc1ccc(CNC2CCN(CCn3c(=O)cc(C(=O)NC)c4ccc(OC)cc43)CC2)cc1.Cl.
What is the InChIKey of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride?
The InChIKey is HUTCDALGTDMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3.ClH/c1-4-20-5-7-21(8-6-20)19-30-22-11-13-31(14-12-22)15-16-32-26-17-23(35-3)9-10-24(26)25(18-27(32)33)28(34)29-2;/h5-10,17-18,22,30H,4,11-16,19H2,1-3H3,(H,29,34);1H.
What are the key properties of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride?
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride has a molecular weight of 513.08 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 67537611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).