N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride

C26H32ClN3O5 — CID 90654548

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC.Cl
InChIInChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H
InChIKeyUMSZBFQYTWROFY-UHFFFAOYSA-N
MW502.01 g/mol
LogP3.33
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride

N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride (PubChem CID 90654548) has the molecular formula C26H32ClN3O5 and a molecular weight of 502.01 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
PubChem CID90654548
Molecular FormulaC26H32ClN3O5
Molecular Weight502.01 g/mol
Exact Mass501.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC.Cl
InChIInChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H
InChIKeyUMSZBFQYTWROFY-UHFFFAOYSA-N
XLogP3.33
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.01
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-allyl-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679959
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
2-(6,7-dimethoxy-2-oxo-3-((phenylamino)methyl)quinolin-1(2H)-yl)-N-(2-methoxyphenyl)acetamide
CID 16022880
2-{6,7-dimethoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3,5-dimethylphenyl)acetamide
CID 16022888
2-(6,7-dimethoxy-2-oxo-3-((phenylamino)methyl)quinolin-1(2H)-yl)-N-(4-ethylphenyl)acetamide
CID 16023223
1-(3-Diethylamino-propyl)-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-3-phenyl-urea
CID 650323
3-Cyclohexyl-1-cyclopentyl-1-(6,7-dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-urea
CID 655813
N-(6-Oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-N-phenethyl-propionamide
CID 3194310
N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-2-oxo-3-((p-tolylamino)methyl)quinolin-1(2H)-yl)acetamide
CID 16022912
2-(3-{[(3,4-Dimethoxyphenyl)amino]methyl}-6-methoxy-2-oxo-1,2-dihydroquinolin-1-YL)-N-(4-fluorophenyl)acetamide
CID 16023051
(S)-7-[4-(2,5-Difluoro-benzyl)-piperidin-1-yl]-2,3-dimethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
CID 44393470

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride (CID 90654548) is N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride is COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC.Cl.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The InChIKey is UMSZBFQYTWROFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride has a molecular weight of 502.01 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 90654548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).