3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide

C22H23ClN2O3 — CID 3801810

IUPAC3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C22H23ClN2O3/c1-14-9-15(2)20-17(10-14)11-18(21(27)24-20)13-25(7-4-8-26)22(28)16-5-3-6-19(23)12-16/h3,5-6,9-12,26H,4,7-8,13H2,1-2H3,(H,24,27)
InChIKeyUCVUIMVLTMXLKT-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide

3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide (PubChem CID 3801810) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide
PubChem CID3801810
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C22H23ClN2O3/c1-14-9-15(2)20-17(10-14)11-18(21(27)24-20)13-25(7-4-8-26)22(28)16-5-3-6-19(23)12-16/h3,5-6,9-12,26H,4,7-8,13H2,1-2H3,(H,24,27)
InChIKeyUCVUIMVLTMXLKT-UHFFFAOYSA-N
XLogP3.82
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(3-hydroxypropyl)urea
CID 3194560
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 3193976
3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172724
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7108460
2-chloro-N-(3-hydroxypropyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193895
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 46262354
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467390
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 23885556
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide (CID 3801810) is 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide is Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(Cl)c3)cc2c1.
What is the InChIKey of 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide?
The InChIKey is UCVUIMVLTMXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14-9-15(2)20-17(10-14)11-18(21(27)24-20)13-25(7-4-8-26)22(28)16-5-3-6-19(23)12-16/h3,5-6,9-12,26H,4,7-8,13H2,1-2H3,(H,24,27).
What are the key properties of 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide?
3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 3801810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).