7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one

C12H13ClN2O — CID 105498477

IUPAC7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-7(2)5-10-9-4-3-8(13)6-11(9)15-12(16)14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,16)
InChIKeySIHOOQIDZKRIJG-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.78
Rot. Bonds2

About 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one

7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one (PubChem CID 105498477) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
PubChem CID105498477
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-7(2)5-10-9-4-3-8(13)6-11(9)15-12(16)14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,16)
InChIKeySIHOOQIDZKRIJG-UHFFFAOYSA-N
XLogP2.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one
CID 105496020
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
CID 105463660
4-(3-aminopropyl)-6-chloro-3H-quinazolin-2-one
CID 105499859
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
2-[7-chloro-2-(2-methylpropyl)quinazolin-4-yl]sulfanylacetic acid
CID 165492451
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755
4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
CID 105492755
[(1S)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethyl]-pentylazanium
CID 135622591
7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one
CID 18432309

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one (CID 105498477) is 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one is CC(C)Cc1[nH]c(=O)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The InChIKey is SIHOOQIDZKRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)5-10-9-4-3-8(13)6-11(9)15-12(16)14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,16).
What are the key properties of 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one?
7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one has a molecular weight of 236.70 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-methylpropyl)-3H-quinazolin-2-one is sourced from PubChem (CID 105498477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).