3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one

C20H17N5O — CID 162699487

IUPAC3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1
InChIInChI=1S/C20H17N5O/c1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16/h2-11H,21H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAFAAQFLUXBQSIR-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.62
Rot. Bonds3

About 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one

3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one (PubChem CID 162699487) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
PubChem CID162699487
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1
InChIInChI=1S/C20H17N5O/c1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16/h2-11H,21H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAFAAQFLUXBQSIR-UHFFFAOYSA-N
XLogP3.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
CID 146690128
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
CID 163594756
N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]-N-(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
CID 162699485
5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine
CID 58830072
3-N-(4-methyl-5-thiophen-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 69466470
8-amino-2-(3-aminoanilino)-5H-pyrimido[5,4-c]isoquinolin-6-one
CID 118926653
2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
CID 163516568
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 162699483
2-(3-aminoanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136925179
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 175961168

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one (CID 162699487) is 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.
What is the InChIKey of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one?
The InChIKey is AFAAQFLUXBQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-7-8-22-19(26)18(12)13-5-6-17-14(9-13)11-23-20(25-17)24-16-4-2-3-15(21)10-16/h2-11H,21H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one?
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 162699487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).