6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride

C15H20ClN3O2 — CID 2790070

IUPAC6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NCCCCCC(=O)O)c2c1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-6-7-13-12(9-11)15(18-10-17-13)16-8-4-2-3-5-14(19)20;/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)(H,16,17,18);1H
InChIKeyOOJYIHATCXSPAA-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.42
Rot. Bonds7

About 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride

6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride (PubChem CID 2790070) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride
PubChem CID2790070
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NCCCCCC(=O)O)c2c1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-6-7-13-12(9-11)15(18-10-17-13)16-8-4-2-3-5-14(19)20;/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)(H,16,17,18);1H
InChIKeyOOJYIHATCXSPAA-UHFFFAOYSA-N
XLogP3.42
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride 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 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride?
The IUPAC name of 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride (CID 2790070) is 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride.
What is the SMILES notation for 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride?
The canonical SMILES for 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride is Cc1ccc2ncnc(NCCCCCC(=O)O)c2c1.Cl.
What is the InChIKey of 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride?
The InChIKey is OOJYIHATCXSPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-11-6-7-13-12(9-11)15(18-10-17-13)16-8-4-2-3-5-14(19)20;/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)(H,16,17,18);1H.
What are the key properties of 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride?
6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylquinazolin-4-yl)amino]hexanoic acid;hydrochloride is sourced from PubChem (CID 2790070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).