(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one

C17H15ClF2N2O2 — CID 102583130

IUPAC(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)N[C@@H](C(F)F)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H15ClF2N2O2/c1-24-12-5-2-10(3-6-12)9-22-14-7-4-11(18)8-13(14)15(16(19)20)21-17(22)23/h2-8,15-16H,9H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeySKRFORIOFIZWGG-OAHLLOKOSA-N
MW352.77 g/mol
LogP4.38
Rot. Bonds4

About (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one

(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one (PubChem CID 102583130) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
PubChem CID102583130
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)N[C@@H](C(F)F)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H15ClF2N2O2/c1-24-12-5-2-10(3-6-12)9-22-14-7-4-11(18)8-13(14)15(16(19)20)21-17(22)23/h2-8,15-16H,9H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeySKRFORIOFIZWGG-OAHLLOKOSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 10982954
(4S)-6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 10972132
4-butyl-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one
CID 54451058
(4S)-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one
CID 71028251
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one
CID 132570835
1-benzyl-6-chloro-3-[(4-methoxyphenyl)methyl]-4H-quinazolin-2-one
CID 67188968
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one (CID 102583130) is (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one is COc1ccc(CN2C(=O)N[C@@H](C(F)F)c3cc(Cl)ccc32)cc1.
What is the InChIKey of (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is SKRFORIOFIZWGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-24-12-5-2-10(3-6-12)9-22-14-7-4-11(18)8-13(14)15(16(19)20)21-17(22)23/h2-8,15-16H,9H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 352.77 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 102583130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).