7-chloro-4-(dimethylamino)-1H-quinazolin-2-one

C10H10ClN3O — CID 133054303

IUPAC7-chloro-4-(dimethylamino)-1H-quinazolin-2-one
SMILESCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)
InChIKeyDSCYGQFCBQYCTA-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.64
Rot. Bonds1

About 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one

7-chloro-4-(dimethylamino)-1H-quinazolin-2-one (PubChem CID 133054303) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(dimethylamino)-1H-quinazolin-2-one
PubChem CID133054303
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name7-chloro-4-(dimethylamino)-1H-quinazolin-2-one
SMILESCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)
InChIKeyDSCYGQFCBQYCTA-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one (CID 133054303) is 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one is CN(C)c1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one?
The InChIKey is DSCYGQFCBQYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one?
7-chloro-4-(dimethylamino)-1H-quinazolin-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(dimethylamino)-1H-quinazolin-2-one is sourced from PubChem (CID 133054303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).