4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide

C17H15ClN4O3 — CID 22692751

IUPAC4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(C(N)=O)cc3)c2cc1OC
InChIInChI=1S/C17H15ClN4O3/c1-24-13-7-11-12(8-14(13)25-2)21-17(18)22-16(11)20-10-5-3-9(4-6-10)15(19)23/h3-8H,1-2H3,(H2,19,23)(H,20,21,22)
InChIKeyRLPIYJHRUPAEHW-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.14
Rot. Bonds5

About 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide

4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide (PubChem CID 22692751) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide
PubChem CID22692751
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(C(N)=O)cc3)c2cc1OC
InChIInChI=1S/C17H15ClN4O3/c1-24-13-7-11-12(8-14(13)25-2)21-17(18)22-16(11)20-10-5-3-9(4-6-10)15(19)23/h3-8H,1-2H3,(H2,19,23)(H,20,21,22)
InChIKeyRLPIYJHRUPAEHW-UHFFFAOYSA-N
XLogP3.14
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide?
The IUPAC name of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide (CID 22692751) is 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide is COc1cc2nc(Cl)nc(Nc3ccc(C(N)=O)cc3)c2cc1OC.
What is the InChIKey of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide?
The InChIKey is RLPIYJHRUPAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-13-7-11-12(8-14(13)25-2)21-17(18)22-16(11)20-10-5-3-9(4-6-10)15(19)23/h3-8H,1-2H3,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide?
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide has a molecular weight of 358.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 22692751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).