2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine

C24H23N3O2 — CID 69221521

IUPAC2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(OC)c(CNc2nc(Cc3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O2/c1-28-19-12-13-22(29-2)18(15-19)16-25-24-20-10-6-7-11-21(20)26-23(27-24)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26,27)
InChIKeyKUZNVHUNHXKCJH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.85
Rot. Bonds7

About 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine

2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 69221521) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID69221521
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(OC)c(CNc2nc(Cc3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O2/c1-28-19-12-13-22(29-2)18(15-19)16-25-24-20-10-6-7-11-21(20)26-23(27-24)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26,27)
InChIKeyKUZNVHUNHXKCJH-UHFFFAOYSA-N
XLogP4.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
CID 69232051
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide
CID 42467413
2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 69312797
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine (CID 69221521) is 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(OC)c(CNc2nc(Cc3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is KUZNVHUNHXKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-28-19-12-13-22(29-2)18(15-19)16-25-24-20-10-6-7-11-21(20)26-23(27-24)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine?
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 69221521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).