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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).