N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine

C18H18ClN3O3 — CID 11710213

IUPACN-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3ccc(Cl)cc3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-14-8-13-15(17(25-3)16(14)24-2)21-10-22-18(13)20-9-11-4-6-12(19)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyLHBOTJAKRHYQRC-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.92
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine

N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 11710213) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID11710213
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3ccc(Cl)cc3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-14-8-13-15(17(25-3)16(14)24-2)21-10-22-18(13)20-9-11-4-6-12(19)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyLHBOTJAKRHYQRC-UHFFFAOYSA-N
XLogP3.92
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
CID 24767185

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine (CID 11710213) is N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine is COc1cc2c(NCc3ccc(Cl)cc3)ncnc2c(OC)c1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is LHBOTJAKRHYQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-23-14-8-13-15(17(25-3)16(14)24-2)21-10-22-18(13)20-9-11-4-6-12(19)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine?
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 359.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 11710213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).