1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone

C19H18N4O — CID 50946478

IUPAC1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(NC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N4O/c1-12(24)13-5-4-6-15(11-13)21-19-22-17-8-3-2-7-16(17)18(23-19)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyKPDQDLHWPAUSGK-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.15
Rot. Bonds5

About 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone

1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone (PubChem CID 50946478) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
PubChem CID50946478
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(NC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N4O/c1-12(24)13-5-4-6-15(11-13)21-19-22-17-8-3-2-7-16(17)18(23-19)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyKPDQDLHWPAUSGK-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
1-[3-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 67218138
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880078
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone (CID 50946478) is 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(NC3CC3)c3ccccc3n2)c1.
What is the InChIKey of 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The InChIKey is KPDQDLHWPAUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12(24)13-5-4-6-15(11-13)21-19-22-17-8-3-2-7-16(17)18(23-19)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 50946478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).