7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one

C11H12ClN3O — CID 166629570

IUPAC7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
SMILESCCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-3-15(2)10-8-5-4-7(12)6-9(8)13-11(16)14-10/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyXTWKICAJPTYOCY-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.03
Rot. Bonds2

About 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one

7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one (PubChem CID 166629570) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
PubChem CID166629570
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
SMILESCCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-3-15(2)10-8-5-4-7(12)6-9(8)13-11(16)14-10/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyXTWKICAJPTYOCY-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1,4-dihydroquinazolin-2-amine
CID 13702393
5-Chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 16006492
5-Chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
CID 44455973
7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
2-Amino-7-chloro-3,4-dihydroquinazoline
CID 10035245
Ethyl 4''-amino-5''-chlorospiro[hexahydropyridine-4,2''-(1'',2''-dihydroquinazoline)]-1-carboxylate
CID 10925337
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
3-(5-Chloro-2-methylphenyl)-1,1-dimethylurea
CID 551913

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one (CID 166629570) is 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one is CCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one?
The InChIKey is XTWKICAJPTYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-3-15(2)10-8-5-4-7(12)6-9(8)13-11(16)14-10/h4-6H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one?
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one is sourced from PubChem (CID 166629570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).