N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide

C23H18ClN5O2 — CID 70933844

IUPACN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C23H18ClN5O2/c1-14(30)27-17-9-10-21(19(24)12-17)29-23(31)28-16-6-4-5-15(11-16)22-18-7-2-3-8-20(18)25-13-26-22/h2-13H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyZHIXESHIQRPRBN-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.55
Rot. Bonds4

About N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide

N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 70933844) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
PubChem CID70933844
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C23H18ClN5O2/c1-14(30)27-17-9-10-21(19(24)12-17)29-23(31)28-16-6-4-5-15(11-16)22-18-7-2-3-8-20(18)25-13-26-22/h2-13H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyZHIXESHIQRPRBN-UHFFFAOYSA-N
XLogP5.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide 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-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide (CID 70933844) is N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is ZHIXESHIQRPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-14(30)27-17-9-10-21(19(24)12-17)29-23(31)28-16-6-4-5-15(11-16)22-18-7-2-3-8-20(18)25-13-26-22/h2-13H,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide?
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 70933844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).