(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C17H16Cl2N2O — CID 875044

IUPAC(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-2-9-21-16(11-7-8-13(18)14(19)10-11)20-15-6-4-3-5-12(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3/t16-/m0/s1
InChIKeyVTDGWCGVSSRAKI-INIZCTEOSA-N
MW335.23 g/mol
LogP4.97
Rot. Bonds3

About (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 875044) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID875044
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-2-9-21-16(11-7-8-13(18)14(19)10-11)20-15-6-4-3-5-12(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3/t16-/m0/s1
InChIKeyVTDGWCGVSSRAKI-INIZCTEOSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-(4-hydroxy-3-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915125
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981
(2R)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 875044) is (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is VTDGWCGVSSRAKI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-2-9-21-16(11-7-8-13(18)14(19)10-11)20-15-6-4-3-5-12(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 335.23 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 875044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).