N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide

C24H20ClFN4O — CID 87630675

IUPACN-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide
SMILESCc1cccc2c(NC(C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(Cl)nc12
InChIInChI=1S/C24H20ClFN4O/c1-14-4-3-5-20-21(14)29-24(25)30-22(20)27-15(2)16-8-12-19(13-9-16)28-23(31)17-6-10-18(26)11-7-17/h3-13,15H,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyVRNQRGQWZABEMR-UHFFFAOYSA-N
MW434.90 g/mol
LogP6.16
Rot. Bonds5

About N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide

N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide (PubChem CID 87630675) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide
PubChem CID87630675
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC NameN-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide
SMILESCc1cccc2c(NC(C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(Cl)nc12
InChIInChI=1S/C24H20ClFN4O/c1-14-4-3-5-20-21(14)29-24(25)30-22(20)27-15(2)16-8-12-19(13-9-16)28-23(31)17-6-10-18(26)11-7-17/h3-13,15H,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyVRNQRGQWZABEMR-UHFFFAOYSA-N
XLogP6.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[4-[(1S)-1-[(2,8-dimethylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide
CID 68940079
4-fluoro-N-[4-[(1R)-1-[[8-methyl-2-(methylamino)quinazolin-4-yl]amino]ethyl]phenyl]benzamide
CID 68941228
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
6-chloro-N-[4-[2-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 87720545
N-[4-[[(2-chloro-5-methylquinazolin-4-yl)amino]methyl]phenyl]-4-fluorobenzamide
CID 44819220
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide (CID 87630675) is N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide is Cc1cccc2c(NC(C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(Cl)nc12.
What is the InChIKey of N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The InChIKey is VRNQRGQWZABEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-14-4-3-5-20-21(14)29-24(25)30-22(20)27-15(2)16-8-12-19(13-9-16)28-23(31)17-6-10-18(26)11-7-17/h3-13,15H,1-2H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide has a molecular weight of 434.90 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 87630675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).