(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one

C17H14ClF3N2O — CID 10904359

IUPAC(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2[C@@H]1C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24/h2-10,15H,1H3,(H,22,24)/t10-,15-/m1/s1
InChIKeyCWNQZXBPYGDRCE-MEBBXXQBSA-N
MW354.76 g/mol
LogP5.55
Rot. Bonds2

About (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one

(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one (PubChem CID 10904359) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one
PubChem CID10904359
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2[C@@H]1C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24/h2-10,15H,1H3,(H,22,24)/t10-,15-/m1/s1
InChIKeyCWNQZXBPYGDRCE-MEBBXXQBSA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

N-tert-butyl-6-chloro-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68774576
6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68771729
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 11439486
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24965263
7-chloro-4-pent-1-enyl-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 173267880
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
(4aR,10bR)-8-chloro-4-(1-phenylethyl)-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 70190242
(3S)-3-(4-chlorophenyl)-4-[(1R)-1-(4-chlorophenyl)ethyl]-7-iodo-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 69340572
(1R)-6-chloro-N-(4,4-difluorobutyl)-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24966310
(5S)-7-chloro-5-phenyl-4-[(2S)-2-phenylbutanoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159840

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one (CID 10904359) is (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one is C[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2[C@@H]1C(F)(F)F.
What is the InChIKey of (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is CWNQZXBPYGDRCE-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24/h2-10,15H,1H3,(H,22,24)/t10-,15-/m1/s1.
What are the key properties of (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one?
(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 354.76 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10904359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).