7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine

C16H15BrN4O — CID 168957326

IUPAC7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
SMILESCOc1ccc(CNc2cc(Br)cc3ncnc(N)c23)cc1
InChIInChI=1S/C16H15BrN4O/c1-22-12-4-2-10(3-5-12)8-19-13-6-11(17)7-14-15(13)16(18)21-9-20-14/h2-7,9,19H,8H2,1H3,(H2,18,20,21)
InChIKeyBVLSRSBRBBBSDL-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.60
Rot. Bonds4

About 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine

7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine (PubChem CID 168957326) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine.

Molecular Properties

Compound Name7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
PubChem CID168957326
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
SMILESCOc1ccc(CNc2cc(Br)cc3ncnc(N)c23)cc1
InChIInChI=1S/C16H15BrN4O/c1-22-12-4-2-10(3-5-12)8-19-13-6-11(17)7-14-15(13)16(18)21-9-20-14/h2-7,9,19H,8H2,1H3,(H2,18,20,21)
InChIKeyBVLSRSBRBBBSDL-UHFFFAOYSA-N
XLogP3.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
CID 168957193
N-[(4-methoxyphenyl)methyl]-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135818954
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731
6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
4-amino-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 118002770
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
methyl 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methylamino]benzoate
CID 129239172
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The IUPAC name of 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine (CID 168957326) is 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine.
What is the SMILES notation for 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The canonical SMILES for 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine is COc1ccc(CNc2cc(Br)cc3ncnc(N)c23)cc1.
What is the InChIKey of 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The InChIKey is BVLSRSBRBBBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-22-12-4-2-10(3-5-12)8-19-13-6-11(17)7-14-15(13)16(18)21-9-20-14/h2-7,9,19H,8H2,1H3,(H2,18,20,21).
What are the key properties of 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine has a molecular weight of 359.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine is sourced from PubChem (CID 168957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).