2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride

C18H18ClN3O2 — CID 175690191

IUPAC2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nc([C@@H]2C[C@H](O)CN2)n1-c1ccccc1
InChIInChI=1S/C18H17N3O2.ClH/c22-13-10-16(19-11-13)17-20-15-9-5-4-8-14(15)18(23)21(17)12-6-2-1-3-7-12;/h1-9,13,16,19,22H,10-11H2;1H/t13-,16-;/m0./s1
InChIKeyGBOSBSSIRCJPSI-LINSIKMZSA-N
MW343.81 g/mol
LogP2.20
Rot. Bonds2

About 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride

2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride (PubChem CID 175690191) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
PubChem CID175690191
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nc([C@@H]2C[C@H](O)CN2)n1-c1ccccc1
InChIInChI=1S/C18H17N3O2.ClH/c22-13-10-16(19-11-13)17-20-15-9-5-4-8-14(15)18(23)21(17)12-6-2-1-3-7-12;/h1-9,13,16,19,22H,10-11H2;1H/t13-,16-;/m0./s1
InChIKeyGBOSBSSIRCJPSI-LINSIKMZSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
CID 58938522
2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
CID 130318734
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 12867825
5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
CID 137463725
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 162931041
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
2-[(3S,5R)-5-hydroxypiperidin-3-yl]-3H-quinazolin-4-one
CID 137230518
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride?
The IUPAC name of 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride (CID 175690191) is 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride?
The canonical SMILES for 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride is Cl.O=c1c2ccccc2nc([C@@H]2C[C@H](O)CN2)n1-c1ccccc1.
What is the InChIKey of 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride?
The InChIKey is GBOSBSSIRCJPSI-LINSIKMZSA-N. The full InChI is InChI=1S/C18H17N3O2.ClH/c22-13-10-16(19-11-13)17-20-15-9-5-4-8-14(15)18(23)21(17)12-6-2-1-3-7-12;/h1-9,13,16,19,22H,10-11H2;1H/t13-,16-;/m0./s1.
What are the key properties of 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride?
2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 175690191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).