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

C22H19ClN4O — CID 71691183

IUPAC2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1
InChIInChI=1S/C22H19ClN4O/c1-14-18(23)7-5-9-19(14)25-22-26-20-8-4-3-6-17(20)21(27-22)24-15-10-12-16(28-2)13-11-15/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyCCXUUKLTQUWMIB-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.09
Rot. Bonds5

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

2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 71691183) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID71691183
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1
InChIInChI=1S/C22H19ClN4O/c1-14-18(23)7-5-9-19(14)25-22-26-20-8-4-3-6-17(20)21(27-22)24-15-10-12-16(28-2)13-11-15/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyCCXUUKLTQUWMIB-UHFFFAOYSA-N
XLogP6.09
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
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-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine (CID 71691183) is 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine is COc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc3ccccc23)cc1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is CCXUUKLTQUWMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14-18(23)7-5-9-19(14)25-22-26-20-8-4-3-6-17(20)21(27-22)24-15-10-12-16(28-2)13-11-15/h3-13H,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 390.87 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71691183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).