2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

C21H18N4 — CID 71690518

IUPAC2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H18N4/c1-15-8-7-11-17(14-15)23-21-24-19-13-6-5-12-18(19)20(25-21)22-16-9-3-2-4-10-16/h2-14H,1H3,(H2,22,23,24,25)
InChIKeyZLAZKQKBMIZHKF-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.43
Rot. Bonds4

About 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 71690518) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID71690518
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H18N4/c1-15-8-7-11-17(14-15)23-21-24-19-13-6-5-12-18(19)20(25-21)22-16-9-3-2-4-10-16/h2-14H,1H3,(H2,22,23,24,25)
InChIKeyZLAZKQKBMIZHKF-UHFFFAOYSA-N
XLogP5.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 71690518) is 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is Cc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is ZLAZKQKBMIZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-8-7-11-17(14-15)23-21-24-19-13-6-5-12-18(19)20(25-21)22-16-9-3-2-4-10-16/h2-14H,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 326.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 71690518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).