4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol

C15H12ClN3O — CID 21002450

IUPAC4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
SMILESCc1ccc2ncnc(Nc3cc(Cl)ccc3O)c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-2-4-12-11(6-9)15(18-8-17-12)19-13-7-10(16)3-5-14(13)20/h2-8,20H,1H3,(H,17,18,19)
InChIKeyMRIQFHJBOJFNDM-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.04
Rot. Bonds2

About 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol

4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol (PubChem CID 21002450) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
PubChem CID21002450
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
SMILESCc1ccc2ncnc(Nc3cc(Cl)ccc3O)c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-2-4-12-11(6-9)15(18-8-17-12)19-13-7-10(16)3-5-14(13)20/h2-8,20H,1H3,(H,17,18,19)
InChIKeyMRIQFHJBOJFNDM-UHFFFAOYSA-N
XLogP4.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411
2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol
CID 82059602
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol
CID 86766693
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol (CID 21002450) is 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol is Cc1ccc2ncnc(Nc3cc(Cl)ccc3O)c2c1.
What is the InChIKey of 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol?
The InChIKey is MRIQFHJBOJFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-2-4-12-11(6-9)15(18-8-17-12)19-13-7-10(16)3-5-14(13)20/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol?
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol has a molecular weight of 285.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 21002450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).