1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one

C25H24N4O — CID 165080774

IUPAC1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
SMILESCN(C)c1ccc2c(Nc3ccc(CC(=O)Cc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C25H24N4O/c1-29(2)21-12-13-23-24(16-21)26-17-27-25(23)28-20-10-8-19(9-11-20)15-22(30)14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27,28)
InChIKeyVBRDSDVPGVLFKT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.79
Rot. Bonds7

About 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one

1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one (PubChem CID 165080774) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
PubChem CID165080774
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
SMILESCN(C)c1ccc2c(Nc3ccc(CC(=O)Cc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C25H24N4O/c1-29(2)21-12-13-23-24(16-21)26-17-27-25(23)28-20-10-8-19(9-11-20)15-22(30)14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27,28)
InChIKeyVBRDSDVPGVLFKT-UHFFFAOYSA-N
XLogP4.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
CID 164979475
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54254112

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one (CID 165080774) is 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one is CN(C)c1ccc2c(Nc3ccc(CC(=O)Cc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one?
The InChIKey is VBRDSDVPGVLFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-29(2)21-12-13-23-24(16-21)26-17-27-25(23)28-20-10-8-19(9-11-20)15-22(30)14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one?
1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one has a molecular weight of 396.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one is sourced from PubChem (CID 165080774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).