7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one

C13H12ClN5O — CID 154933660

IUPAC7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2nccn2C)c2cc(Cl)ccc12
InChIInChI=1S/C13H12ClN5O/c1-15-11-9-4-3-8(14)7-10(9)19(13(20)17-11)12-16-5-6-18(12)2/h3-7H,1-2H3,(H,15,17,20)
InChIKeyRMQHLCWEYDKKBK-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.81
Rot. Bonds2

About 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one

7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one (PubChem CID 154933660) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one
PubChem CID154933660
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2nccn2C)c2cc(Cl)ccc12
InChIInChI=1S/C13H12ClN5O/c1-15-11-9-4-3-8(14)7-10(9)19(13(20)17-11)12-16-5-6-18(12)2/h3-7H,1-2H3,(H,15,17,20)
InChIKeyRMQHLCWEYDKKBK-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one?
The IUPAC name of 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one (CID 154933660) is 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one is CNc1nc(=O)n(-c2nccn2C)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one?
The InChIKey is RMQHLCWEYDKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-15-11-9-4-3-8(14)7-10(9)19(13(20)17-11)12-16-5-6-18(12)2/h3-7H,1-2H3,(H,15,17,20).
What are the key properties of 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one?
7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one has a molecular weight of 289.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(methylamino)-1-(1-methylimidazol-2-yl)quinazolin-2-one is sourced from PubChem (CID 154933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).