N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine

C22H18ClN3 — CID 58523909

IUPACN-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1cccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H18ClN3/c23-18-10-6-9-17(13-18)14-21-25-20-12-5-4-11-19(20)22(26-21)24-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,25,26)
InChIKeyQSTJGGQJYYKQJU-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.49
Rot. Bonds5

About N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine

N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine (PubChem CID 58523909) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
PubChem CID58523909
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC NameN-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1cccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H18ClN3/c23-18-10-6-9-17(13-18)14-21-25-20-12-5-4-11-19(20)22(26-21)24-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,25,26)
InChIKeyQSTJGGQJYYKQJU-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
CID 90896586
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
CID 69232051
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline
CID 3715154
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 19392239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine (CID 58523909) is N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine is Clc1cccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine?
The InChIKey is QSTJGGQJYYKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c23-18-10-6-9-17(13-18)14-21-25-20-12-5-4-11-19(20)22(26-21)24-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,25,26).
What are the key properties of N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine?
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine has a molecular weight of 359.86 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 58523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).