1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone

C22H18N4O — CID 19919049

IUPAC1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H18N4O/c1-15(27)17-9-10-20-19(12-17)22(24-13-16-6-3-2-4-7-16)26-21(25-20)18-8-5-11-23-14-18/h2-12,14H,13H2,1H3,(H,24,25,26)
InChIKeyVXUNGLAHYMZPTA-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone

1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone (PubChem CID 19919049) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone
PubChem CID19919049
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H18N4O/c1-15(27)17-9-10-20-19(12-17)22(24-13-16-6-3-2-4-7-16)26-21(25-20)18-8-5-11-23-14-18/h2-12,14H,13H2,1H3,(H,24,25,26)
InChIKeyVXUNGLAHYMZPTA-UHFFFAOYSA-N
XLogP4.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone?
The IUPAC name of 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone (CID 19919049) is 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone.
What is the SMILES notation for 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone?
The canonical SMILES for 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone is CC(=O)c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1.
What is the InChIKey of 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone?
The InChIKey is VXUNGLAHYMZPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15(27)17-9-10-20-19(12-17)22(24-13-16-6-3-2-4-7-16)26-21(25-20)18-8-5-11-23-14-18/h2-12,14H,13H2,1H3,(H,24,25,26).
What are the key properties of 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone?
1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]ethanone is sourced from PubChem (CID 19919049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).