6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine

C26H22N4 — CID 501280

IUPAC6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Cc3ccccc3Cc3ccc4ccccc4c3)ccc2n1
InChIInChI=1S/C26H22N4/c27-25-23-16-18(10-12-24(23)29-26(28)30-25)15-22-8-4-3-7-21(22)14-17-9-11-19-5-1-2-6-20(19)13-17/h1-13,16H,14-15H2,(H4,27,28,29,30)
InChIKeyAUSUSCPKUZEOOB-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.13
Rot. Bonds4

About 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine

6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine (PubChem CID 501280) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
PubChem CID501280
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(Cc3ccccc3Cc3ccc4ccccc4c3)ccc2n1
InChIInChI=1S/C26H22N4/c27-25-23-16-18(10-12-24(23)29-26(28)30-25)15-22-8-4-3-7-21(22)14-17-9-11-19-5-1-2-6-20(19)13-17/h1-13,16H,14-15H2,(H4,27,28,29,30)
InChIKeyAUSUSCPKUZEOOB-UHFFFAOYSA-N
XLogP5.13
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
5-Phenethylquinazoline-2,4-diamine
CID 490662
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The IUPAC name of 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine (CID 501280) is 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine is Nc1nc(N)c2cc(Cc3ccccc3Cc3ccc4ccccc4c3)ccc2n1.
What is the InChIKey of 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
The InChIKey is AUSUSCPKUZEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c27-25-23-16-18(10-12-24(23)29-26(28)30-25)15-22-8-4-3-7-21(22)14-17-9-11-19-5-1-2-6-20(19)13-17/h1-13,16H,14-15H2,(H4,27,28,29,30).
What are the key properties of 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine?
6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine has a molecular weight of 390.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(naphthalen-2-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 501280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).