2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine

C22H19ClN4 — CID 71690632

IUPAC2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1
InChIInChI=1S/C22H19ClN4/c1-14-10-12-16(13-11-14)24-21-17-6-3-4-8-20(17)26-22(27-21)25-19-9-5-7-18(23)15(19)2/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyXKYMKVBUVAMDMQ-UHFFFAOYSA-N
MW374.88 g/mol
LogP6.39
Rot. Bonds4

About 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine

2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 71690632) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID71690632
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1
InChIInChI=1S/C22H19ClN4/c1-14-10-12-16(13-11-14)24-21-17-6-3-4-8-20(17)26-22(27-21)25-19-9-5-7-18(23)15(19)2/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyXKYMKVBUVAMDMQ-UHFFFAOYSA-N
XLogP6.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 71690632) is 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine is Cc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is XKYMKVBUVAMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-14-10-12-16(13-11-14)24-21-17-6-3-4-8-20(17)26-22(27-21)25-19-9-5-7-18(23)15(19)2/h3-13H,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 374.88 g/mol, XLogP of 6.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71690632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).