7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

C19H19Cl2N3O2 — CID 18473034

IUPAC7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCNCc1ccc(CNC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)cc1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-21-9-12-2-4-13(5-3-12)10-23-19(25)16-11-22-17-8-14(20)6-7-15(17)18(16)24;/h2-8,11,21H,9-10H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyNHCBIKJUHTVFRI-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.25
Rot. Bonds5

About 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 18473034) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID18473034
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCNCc1ccc(CNC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)cc1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-21-9-12-2-4-13(5-3-12)10-23-19(25)16-11-22-17-8-14(20)6-7-15(17)18(16)24;/h2-8,11,21H,9-10H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyNHCBIKJUHTVFRI-UHFFFAOYSA-N
XLogP3.25
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
N-[(4-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carboxamide
CID 18698574
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 18473034) is 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is CNCc1ccc(CNC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)cc1.Cl.
What is the InChIKey of 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is NHCBIKJUHTVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2.ClH/c1-21-9-12-2-4-13(5-3-12)10-23-19(25)16-11-22-17-8-14(20)6-7-15(17)18(16)24;/h2-8,11,21H,9-10H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 392.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 18473034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).