(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C17H16N2O2 — CID 9008682

IUPAC(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccc(O)c2)N1C1CC1
InChIInChI=1S/C17H16N2O2/c20-13-5-3-4-11(10-13)16-18-15-7-2-1-6-14(15)17(21)19(16)12-8-9-12/h1-7,10,12,16,18,20H,8-9H2/t16-/m0/s1
InChIKeyVSINHUXLUHQWNC-INIZCTEOSA-N
MW280.33 g/mol
LogP3.12
Rot. Bonds2

About (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9008682) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9008682
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccc(O)c2)N1C1CC1
InChIInChI=1S/C17H16N2O2/c20-13-5-3-4-11(10-13)16-18-15-7-2-1-6-14(15)17(21)19(16)12-8-9-12/h1-7,10,12,16,18,20H,8-9H2/t16-/m0/s1
InChIKeyVSINHUXLUHQWNC-INIZCTEOSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2R)-2-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40795206
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
(2S)-2-(4-chloro-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012094

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9008682) is (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VSINHUXLUHQWNC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-13-5-3-4-11(10-13)16-18-15-7-2-1-6-14(15)17(21)19(16)12-8-9-12/h1-7,10,12,16,18,20H,8-9H2/t16-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).