2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid

C16H15ClN4O3 — CID 69378595

IUPAC2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid
SMILESNC(=O)c1cc(Cl)ccc1N.O=C(O)C1=NCNc2ccccc21
InChIInChI=1S/C9H8N2O2.C7H7ClN2O/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8;8-4-1-2-6(9)5(3-4)7(10)11/h1-4,10H,5H2,(H,12,13);1-3H,9H2,(H2,10,11)
InChIKeyPHHFHTPCUGBVJS-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid

2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid (PubChem CID 69378595) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid
PubChem CID69378595
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid
SMILESNC(=O)c1cc(Cl)ccc1N.O=C(O)C1=NCNc2ccccc21
InChIInChI=1S/C9H8N2O2.C7H7ClN2O/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8;8-4-1-2-6(9)5(3-4)7(10)11/h1-4,10H,5H2,(H,12,13);1-3H,9H2,(H2,10,11)
InChIKeyPHHFHTPCUGBVJS-UHFFFAOYSA-N
XLogP1.96
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid?
The IUPAC name of 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid (CID 69378595) is 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid?
The canonical SMILES for 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid is NC(=O)c1cc(Cl)ccc1N.O=C(O)C1=NCNc2ccccc21.
What is the InChIKey of 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid?
The InChIKey is PHHFHTPCUGBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C7H7ClN2O/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8;8-4-1-2-6(9)5(3-4)7(10)11/h1-4,10H,5H2,(H,12,13);1-3H,9H2,(H2,10,11).
What are the key properties of 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid?
2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid has a molecular weight of 346.77 g/mol, XLogP of 1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chlorobenzamide;1,2-dihydroquinazoline-4-carboxylic acid is sourced from PubChem (CID 69378595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).