2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine

C23H22N4O — CID 46850885

IUPAC2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
SMILESCOc1ccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc2c1
InChIInChI=1S/C23H22N4O/c1-28-19-12-13-20-21(14-19)26-23(25-16-18-10-6-3-7-11-18)27-22(20)24-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyRGKFDFUTOAVLGW-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.86
Rot. Bonds7

About 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine

2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine (PubChem CID 46850885) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
PubChem CID46850885
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
SMILESCOc1ccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc2c1
InChIInChI=1S/C23H22N4O/c1-28-19-12-13-20-21(14-19)26-23(25-16-18-10-6-3-7-11-18)27-22(20)24-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyRGKFDFUTOAVLGW-UHFFFAOYSA-N
XLogP4.86
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
CID 68515659

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine (CID 46850885) is 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine is COc1ccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc2c1.
What is the InChIKey of 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine?
The InChIKey is RGKFDFUTOAVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-19-12-13-20-21(14-19)26-23(25-16-18-10-6-3-7-11-18)27-22(20)24-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine?
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine has a molecular weight of 370.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine is sourced from PubChem (CID 46850885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).