2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide

C19H18N2O3 — CID 146316406

IUPAC2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3ncccc23)c(O)cc1O
InChIInChI=1S/C19H18N2O3/c1-11(2)13-9-14(18(23)10-17(13)22)19(24)21-16-7-3-6-15-12(16)5-4-8-20-15/h3-11,22-23H,1-2H3,(H,21,24)
InChIKeyWCVIINNTFUOELO-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.02
Rot. Bonds3

About 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide

2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide (PubChem CID 146316406) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide
PubChem CID146316406
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3ncccc23)c(O)cc1O
InChIInChI=1S/C19H18N2O3/c1-11(2)13-9-14(18(23)10-17(13)22)19(24)21-16-7-3-6-15-12(16)5-4-8-20-15/h3-11,22-23H,1-2H3,(H,21,24)
InChIKeyWCVIINNTFUOELO-UHFFFAOYSA-N
XLogP4.02
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide
CID 136544094
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
CID 73213052
CID 73213052
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide (CID 146316406) is 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide is CC(C)c1cc(C(=O)Nc2cccc3ncccc23)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide?
The InChIKey is WCVIINNTFUOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11(2)13-9-14(18(23)10-17(13)22)19(24)21-16-7-3-6-15-12(16)5-4-8-20-15/h3-11,22-23H,1-2H3,(H,21,24).
What are the key properties of 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide?
2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 146316406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).