N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine

C22H19N3O — CID 949742

IUPACN-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O/c1-26-18-13-11-17(12-14-18)21-24-20-10-6-5-9-19(20)22(25-21)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyQAQHNHBPNCLBOU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds5

About N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 949742) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID949742
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O/c1-26-18-13-11-17(12-14-18)21-24-20-10-6-5-9-19(20)22(25-21)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyQAQHNHBPNCLBOU-UHFFFAOYSA-N
XLogP4.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine (CID 949742) is N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is QAQHNHBPNCLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-18-13-11-17(12-14-18)21-24-20-10-6-5-9-19(20)22(25-21)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine?
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 949742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).