2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine

C18H17Cl2N3O2 — CID 22692713

IUPAC2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3c(C)cc(C)cc3Cl)c2cc1OC
InChIInChI=1S/C18H17Cl2N3O2/c1-9-5-10(2)16(12(19)6-9)22-17-11-7-14(24-3)15(25-4)8-13(11)21-18(20)23-17/h5-8H,1-4H3,(H,21,22,23)
InChIKeyRAZOXNSGPLZDJF-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.31
Rot. Bonds4

About 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine

2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 22692713) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID22692713
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3c(C)cc(C)cc3Cl)c2cc1OC
InChIInChI=1S/C18H17Cl2N3O2/c1-9-5-10(2)16(12(19)6-9)22-17-11-7-14(24-3)15(25-4)8-13(11)21-18(20)23-17/h5-8H,1-4H3,(H,21,22,23)
InChIKeyRAZOXNSGPLZDJF-UHFFFAOYSA-N
XLogP5.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
CID 22692956
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylbenzoic acid
CID 22692970
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine (CID 22692713) is 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(Nc3c(C)cc(C)cc3Cl)c2cc1OC.
What is the InChIKey of 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is RAZOXNSGPLZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-9-5-10(2)16(12(19)6-9)22-17-11-7-14(24-3)15(25-4)8-13(11)21-18(20)23-17/h5-8H,1-4H3,(H,21,22,23).
What are the key properties of 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine?
2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 378.26 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 22692713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).