1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine

C19H21BrN4O — CID 146246203

IUPAC1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(Nc2ncnc3cc(OC)c(Br)cc23)c(C)c1NC
InChIInChI=1S/C19H21BrN4O/c1-5-12-6-7-15(11(2)18(12)21-3)24-19-13-8-14(20)17(25-4)9-16(13)22-10-23-19/h6-10,21H,5H2,1-4H3,(H,22,23,24)
InChIKeyRNARAAARASBCEQ-UHFFFAOYSA-N
MW401.31 g/mol
LogP5.06
Rot. Bonds5

About 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine

1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 146246203) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID146246203
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(Nc2ncnc3cc(OC)c(Br)cc23)c(C)c1NC
InChIInChI=1S/C19H21BrN4O/c1-5-12-6-7-15(11(2)18(12)21-3)24-19-13-8-14(20)17(25-4)9-16(13)22-10-23-19/h6-10,21H,5H2,1-4H3,(H,22,23,24)
InChIKeyRNARAAARASBCEQ-UHFFFAOYSA-N
XLogP5.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine with MolForge

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Related Compounds

6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 135201644
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
N-(5-bromo-2-methoxyphenyl)-7-methoxy-6-nitroquinazolin-4-amine
CID 166086413

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine (CID 146246203) is 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine is CCc1ccc(Nc2ncnc3cc(OC)c(Br)cc23)c(C)c1NC.
What is the InChIKey of 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is RNARAAARASBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-5-12-6-7-15(11(2)18(12)21-3)24-19-13-8-14(20)17(25-4)9-16(13)22-10-23-19/h6-10,21H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine?
1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 401.31 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 146246203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).