N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide

C16H12ClFN4O — CID 127048978

IUPACN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)
InChIKeyHNTRYOBVOOQKFI-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.12
Rot. Bonds3

About N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide

N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide (PubChem CID 127048978) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide
PubChem CID127048978
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)
InChIKeyHNTRYOBVOOQKFI-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]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-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide (CID 127048978) is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide is CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide?
The InChIKey is HNTRYOBVOOQKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide?
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide has a molecular weight of 330.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide is sourced from PubChem (CID 127048978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).