4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one

C29H21N5O2 — CID 54726671

IUPAC4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H21N5O2/c35-27-24-12-6-7-13-25(24)34(29(36)26(27)21-8-2-1-3-9-21)18-19-14-16-20(17-15-19)22-10-4-5-11-23(22)28-30-32-33-31-28/h1-17,35H,18H2,(H,30,31,32,33)
InChIKeyJSROBHYYWFFSHZ-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.27
Rot. Bonds5

About 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one

4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one (PubChem CID 54726671) has the molecular formula C29H21N5O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
PubChem CID54726671
Molecular FormulaC29H21N5O2
Molecular Weight471.52 g/mol
Exact Mass471.17
IUPAC Name4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H21N5O2/c35-27-24-12-6-7-13-25(24)34(29(36)26(27)21-8-2-1-3-9-21)18-19-14-16-20(17-15-19)22-10-4-5-11-23(22)28-30-32-33-31-28/h1-17,35H,18H2,(H,30,31,32,33)
InChIKeyJSROBHYYWFFSHZ-UHFFFAOYSA-N
XLogP5.27
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
2-benzyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzimidazole-4,9-dione
CID 15294079
2-tert-butyl-5-propan-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 10180227
4-butan-2-yl-1-tert-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740549
4-hydroxy-5,7-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,8-naphthyridin-2-one
CID 70322980
2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
CID 24827899
5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 171905204
1,3-bis(2-phenylethyl)-8-propan-2-yl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911784
1,3-diphenyl-8-propan-2-yl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911531
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one (CID 54726671) is 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one is O=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one?
The InChIKey is JSROBHYYWFFSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2/c35-27-24-12-6-7-13-25(24)34(29(36)26(27)21-8-2-1-3-9-21)18-19-14-16-20(17-15-19)22-10-4-5-11-23(22)28-30-32-33-31-28/h1-17,35H,18H2,(H,30,31,32,33).
What are the key properties of 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one?
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one has a molecular weight of 471.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one is sourced from PubChem (CID 54726671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).