7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one

C18H15ClFN3O — CID 150331522

IUPAC7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one
SMILESO=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1
InChIKeyGPTUSHRRTGGGTD-CYBMUJFWSA-N
MW343.79 g/mol
LogP3.59
Rot. Bonds2

About 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one

7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one (PubChem CID 150331522) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one
PubChem CID150331522
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one
SMILESO=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1
InChIKeyGPTUSHRRTGGGTD-CYBMUJFWSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
CID 150174446
7-chloro-4((2,2-difluoroethyl)amino)-1-phenyl-quinazolin-2 (1H)-one
CID 151690232
4-(Dimethylamino)-7-chloro-1-(4-fluorophenyl)-hydroquinazolin-2-one
CID 152022594
7-chloro-6-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 152443211
7-chloro-1-(3-(difluoromethyl)phenyl)-4-(methylamino)-3,4-dihydroquinazolin-2(1H)-one
CID 153608210
7-Chloro-4-(methylamino)-1-[3-(trifluoromethyl)phenyl]hydroquina-zolin-2-one
CID 153608240

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one (CID 150331522) is 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one is O=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one?
The InChIKey is GPTUSHRRTGGGTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1.
What are the key properties of 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one?
7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(3R)-3-fluoropyrrolidin-1-yl]-1-phenylquinazolin-2-one is sourced from PubChem (CID 150331522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).