4-[(2-chloroquinazolin-4-yl)amino]benzamide

C15H11ClN4O — CID 22692750

IUPAC4-[(2-chloroquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C15H11ClN4O/c16-15-19-12-4-2-1-3-11(12)14(20-15)18-10-7-5-9(6-8-10)13(17)21/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyVXJXJFUPNSHWBF-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.13
Rot. Bonds3

About 4-[(2-chloroquinazolin-4-yl)amino]benzamide

4-[(2-chloroquinazolin-4-yl)amino]benzamide (PubChem CID 22692750) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[(2-chloroquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-chloroquinazolin-4-yl)amino]benzamide
PubChem CID22692750
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-[(2-chloroquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C15H11ClN4O/c16-15-19-12-4-2-1-3-11(12)14(20-15)18-10-7-5-9(6-8-10)13(17)21/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyVXJXJFUPNSHWBF-UHFFFAOYSA-N
XLogP3.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
CID 85471593
butyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate
CID 22693003
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
CID 22693251
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
CID 62476495

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroquinazolin-4-yl)amino]benzamide?
The IUPAC name of 4-[(2-chloroquinazolin-4-yl)amino]benzamide (CID 22692750) is 4-[(2-chloroquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(2-chloroquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(2-chloroquinazolin-4-yl)amino]benzamide is NC(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 4-[(2-chloroquinazolin-4-yl)amino]benzamide?
The InChIKey is VXJXJFUPNSHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-15-19-12-4-2-1-3-11(12)14(20-15)18-10-7-5-9(6-8-10)13(17)21/h1-8H,(H2,17,21)(H,18,19,20).
What are the key properties of 4-[(2-chloroquinazolin-4-yl)amino]benzamide?
4-[(2-chloroquinazolin-4-yl)amino]benzamide has a molecular weight of 298.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 22692750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).