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

C20H15ClN4 — CID 46850879

IUPAC2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H15ClN4/c21-14-7-6-10-16(13-14)23-20-24-18-12-5-4-11-17(18)19(25-20)22-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25)
InChIKeyCRSMZPZUFQGGRO-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.77
Rot. Bonds4

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

2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 46850879) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID46850879
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H15ClN4/c21-14-7-6-10-16(13-14)23-20-24-18-12-5-4-11-17(18)19(25-20)22-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25)
InChIKeyCRSMZPZUFQGGRO-UHFFFAOYSA-N
XLogP5.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
CID 155562073
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(3-chlorophenyl)-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine
CID 3756712

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine (CID 46850879) is 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine is Clc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is CRSMZPZUFQGGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-14-7-6-10-16(13-14)23-20-24-18-12-5-4-11-17(18)19(25-20)22-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 346.82 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 46850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).