4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

C24H19N5O3 — CID 22732246

IUPAC4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3cccc(NC(=O)c4ccc(C#N)cc4)c3)c2cc1OC
InChIInChI=1S/C24H19N5O3/c1-31-21-11-19-20(12-22(21)32-2)26-14-27-23(19)28-17-4-3-5-18(10-17)29-24(30)16-8-6-15(13-25)7-9-16/h3-12,14H,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyUVXBWYNHEAYELU-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.51
Rot. Bonds6

About 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 22732246) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID22732246
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3cccc(NC(=O)c4ccc(C#N)cc4)c3)c2cc1OC
InChIInChI=1S/C24H19N5O3/c1-31-21-11-19-20(12-22(21)32-2)26-14-27-23(19)28-17-4-3-5-18(10-17)29-24(30)16-8-6-15(13-25)7-9-16/h3-12,14H,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyUVXBWYNHEAYELU-UHFFFAOYSA-N
XLogP4.51
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]urea
CID 56658587
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 139236753
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
1-(3-acetylphenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]urea
CID 44569793

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 22732246) is 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is COc1cc2ncnc(Nc3cccc(NC(=O)c4ccc(C#N)cc4)c3)c2cc1OC.
What is the InChIKey of 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is UVXBWYNHEAYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-31-21-11-19-20(12-22(21)32-2)26-14-27-23(19)28-17-4-3-5-18(10-17)29-24(30)16-8-6-15(13-25)7-9-16/h3-12,14H,1-2H3,(H,29,30)(H,26,27,28).
What are the key properties of 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide has a molecular weight of 425.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 22732246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).