8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide

C20H19ClN2O3 — CID 133132370

IUPAC8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)c2cccc(Cl)c2n1
InChIInChI=1S/C20H19ClN2O3/c1-11-10-16(15-4-3-5-17(21)18(15)22-11)20(26)23-12(2)19(25)13-6-8-14(24)9-7-13/h3-10,12,19,24-25H,1-2H3,(H,23,26)/t12-,19-/m0/s1
InChIKeyIXDWUOOGTUDDMG-BUXKBTBVSA-N
MW370.84 g/mol
LogP3.75
Rot. Bonds4

About 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide

8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 133132370) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID133132370
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)c2cccc(Cl)c2n1
InChIInChI=1S/C20H19ClN2O3/c1-11-10-16(15-4-3-5-17(21)18(15)22-11)20(26)23-12(2)19(25)13-6-8-14(24)9-7-13/h3-10,12,19,24-25H,1-2H3,(H,23,26)/t12-,19-/m0/s1
InChIKeyIXDWUOOGTUDDMG-BUXKBTBVSA-N
XLogP3.75
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide 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

N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 71913323
N-[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 97068002
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 77080512
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
CID 53016674
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
CID 110489357
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 174556565

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide (CID 133132370) is 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is IXDWUOOGTUDDMG-BUXKBTBVSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-11-10-16(15-4-3-5-17(21)18(15)22-11)20(26)23-12(2)19(25)13-6-8-14(24)9-7-13/h3-10,12,19,24-25H,1-2H3,(H,23,26)/t12-,19-/m0/s1.
What are the key properties of 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide?
8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 133132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).