4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide

C24H22FN5O — CID 44818132

IUPAC4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cccc(C)c2n1
InChIInChI=1S/C24H22FN5O/c1-15-4-3-5-20-21(15)29-24(26-2)30-22(20)27-14-16-6-12-19(13-7-16)28-23(31)17-8-10-18(25)11-9-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeySOZJMQJCCKPSJW-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.98
Rot. Bonds6

About 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide

4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 44818132) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID44818132
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cccc(C)c2n1
InChIInChI=1S/C24H22FN5O/c1-15-4-3-5-20-21(15)29-24(26-2)30-22(20)27-14-16-6-12-19(13-7-16)28-23(31)17-8-10-18(25)11-9-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeySOZJMQJCCKPSJW-UHFFFAOYSA-N
XLogP4.98
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide with MolForge

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Senexin B
CID 71661259
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
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 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 44818132) is 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cccc(C)c2n1.
What is the InChIKey of 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is SOZJMQJCCKPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-15-4-3-5-20-21(15)29-24(26-2)30-22(20)27-14-16-6-12-19(13-7-16)28-23(31)17-8-10-18(25)11-9-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 44818132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).