N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide

C26H23N5O2 — CID 69226615

IUPACN-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-n1cnc2c(N)cccc2c1=O
InChIInChI=1S/C26H23N5O2/c1-16-10-11-19(30-24(32)17-6-4-7-18(12-17)26(2,3)14-27)13-22(16)31-15-29-23-20(25(31)33)8-5-9-21(23)28/h4-13,15H,28H2,1-3H3,(H,30,32)
InChIKeyLHOXGANMKAMUAX-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.33
Rot. Bonds4

About N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide

N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide (PubChem CID 69226615) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
PubChem CID69226615
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-n1cnc2c(N)cccc2c1=O
InChIInChI=1S/C26H23N5O2/c1-16-10-11-19(30-24(32)17-6-4-7-18(12-17)26(2,3)14-27)13-22(16)31-15-29-23-20(25(31)33)8-5-9-21(23)28/h4-13,15H,28H2,1-3H3,(H,30,32)
InChIKeyLHOXGANMKAMUAX-UHFFFAOYSA-N
XLogP4.33
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-6-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]benzamide
CID 69245696
N-cyclopropyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-oxoquinazoline-8-carboxamide
CID 69228839
N-[3-[4-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 166921705
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 68847839
N-[3-(4-aminophenoxy)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 67313669
5-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-N-methylpyridine-3,5-dicarboxamide
CID 69443345
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide;formamide
CID 138690897
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzamide
CID 87763451
N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide
CID 137353668
1-amino-N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoyl]-2-methylphenyl]isoquinoline-5-carboxamide
CID 118090793
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688758

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide?
The IUPAC name of N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide (CID 69226615) is N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide.
What is the SMILES notation for N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide?
The canonical SMILES for N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide is Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-n1cnc2c(N)cccc2c1=O.
What is the InChIKey of N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide?
The InChIKey is LHOXGANMKAMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-10-11-19(30-24(32)17-6-4-7-18(12-17)26(2,3)14-27)13-22(16)31-15-29-23-20(25(31)33)8-5-9-21(23)28/h4-13,15H,28H2,1-3H3,(H,30,32).
What are the key properties of N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide?
N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide has a molecular weight of 437.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide is sourced from PubChem (CID 69226615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).