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

C17H16ClN3O3 — CID 22692956

IUPAC2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
SMILESCOc1cc2nc(Cl)nc(Nc3cc(C)ccc3O)c2cc1OC
InChIInChI=1S/C17H16ClN3O3/c1-9-4-5-13(22)12(6-9)19-16-10-7-14(23-2)15(24-3)8-11(10)20-17(18)21-16/h4-8,22H,1-3H3,(H,19,20,21)
InChIKeySEHHYSLZDYXENC-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.06
Rot. Bonds4

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

2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol (PubChem CID 22692956) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
PubChem CID22692956
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
SMILESCOc1cc2nc(Cl)nc(Nc3cc(C)ccc3O)c2cc1OC
InChIInChI=1S/C17H16ClN3O3/c1-9-4-5-13(22)12(6-9)19-16-10-7-14(23-2)15(24-3)8-11(10)20-17(18)21-16/h4-8,22H,1-3H3,(H,19,20,21)
InChIKeySEHHYSLZDYXENC-UHFFFAOYSA-N
XLogP4.06
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-hydroxybenzenesulfonic acid
CID 22693033
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylbenzoic acid
CID 22692970
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692713
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol?
The IUPAC name of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol (CID 22692956) is 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol.
What is the SMILES notation for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol?
The canonical SMILES for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol is COc1cc2nc(Cl)nc(Nc3cc(C)ccc3O)c2cc1OC.
What is the InChIKey of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol?
The InChIKey is SEHHYSLZDYXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-9-4-5-13(22)12(6-9)19-16-10-7-14(23-2)15(24-3)8-11(10)20-17(18)21-16/h4-8,22H,1-3H3,(H,19,20,21).
What are the key properties of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol?
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol has a molecular weight of 345.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol is sourced from PubChem (CID 22692956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).