N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide

C22H17FN4O — CID 177344828

IUPACN-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide
SMILESCNc1nc(-c2ccccc2F)nc2cc(NC(=O)c3ccccc3)ccc12
InChIInChI=1S/C22H17FN4O/c1-24-20-17-12-11-15(25-22(28)14-7-3-2-4-8-14)13-19(17)26-21(27-20)16-9-5-6-10-18(16)23/h2-13H,1H3,(H,25,28)(H,24,26,27)
InChIKeyJMSXXTRWNLLIHR-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.73
Rot. Bonds4

About N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide

N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide (PubChem CID 177344828) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide
PubChem CID177344828
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide
SMILESCNc1nc(-c2ccccc2F)nc2cc(NC(=O)c3ccccc3)ccc12
InChIInChI=1S/C22H17FN4O/c1-24-20-17-12-11-15(25-22(28)14-7-3-2-4-8-14)13-19(17)26-21(27-20)16-9-5-6-10-18(16)23/h2-13H,1H3,(H,25,28)(H,24,26,27)
InChIKeyJMSXXTRWNLLIHR-UHFFFAOYSA-N
XLogP4.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide 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

7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623
2-chloro-5-[(3,3-dimethylbutanoylamino)methyl]-N-[4-(methylamino)-2-(2-methylphenyl)quinazolin-7-yl]benzamide
CID 177344824
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
CID 2929675
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
5-(aminomethyl)-2-chloro-N-[4-(methylamino)-2-[3-(trifluoromethyl)phenyl]quinazolin-7-yl]benzamide
CID 177344616
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[4-(azetidin-1-yl)-2-(2-fluorophenyl)quinazolin-7-yl]-2-chloro-5-[[(2-methoxyacetyl)amino]methyl]benzamide
CID 177344951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide (CID 177344828) is N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide is CNc1nc(-c2ccccc2F)nc2cc(NC(=O)c3ccccc3)ccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide?
The InChIKey is JMSXXTRWNLLIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-24-20-17-12-11-15(25-22(28)14-7-3-2-4-8-14)13-19(17)26-21(27-20)16-9-5-6-10-18(16)23/h2-13H,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide?
N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-(methylamino)quinazolin-7-yl]benzamide is sourced from PubChem (CID 177344828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).