2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one

C12H10N4O — CID 52940850

IUPAC2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one
SMILESCc1nc(N)nc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C12H10N4O/c1-6-9-10(16-12(13)14-6)7-4-2-3-5-8(7)15-11(9)17/h2-5H,1H3,(H,15,17)(H2,13,14,16)
InChIKeyBLFDBOUKKHISHY-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.36
Rot. Bonds

About 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one

2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one (PubChem CID 52940850) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one
PubChem CID52940850
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one
SMILESCc1nc(N)nc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C12H10N4O/c1-6-9-10(16-12(13)14-6)7-4-2-3-5-8(7)15-11(9)17/h2-5H,1H3,(H,15,17)(H2,13,14,16)
InChIKeyBLFDBOUKKHISHY-UHFFFAOYSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
2-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
5-Acetyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine
CID 943838
2-[(2,4-dimethylphenyl)amino]-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 4886326
N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide
CID 726949
12-anilino-6H-quinolino[2,3-b]quinolin-11-one
CID 44537024
n-(2,6-Dimethylpyrimidin-4-yl)benzamide
CID 229515
2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 3116072

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one?
The IUPAC name of 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one (CID 52940850) is 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one.
What is the SMILES notation for 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one?
The canonical SMILES for 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one is Cc1nc(N)nc2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one?
The InChIKey is BLFDBOUKKHISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-6-9-10(16-12(13)14-6)7-4-2-3-5-8(7)15-11(9)17/h2-5H,1H3,(H,15,17)(H2,13,14,16).
What are the key properties of 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one?
2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one has a molecular weight of 226.24 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6H-pyrimido[5,4-c]quinolin-5-one is sourced from PubChem (CID 52940850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).