N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine

C23H20ClN3O2 — CID 22310713

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine
SMILESCOc1cc(OC)c(Nc2nc(-c3cccc(C)c3)nc3ccccc23)cc1Cl
InChIInChI=1S/C23H20ClN3O2/c1-14-7-6-8-15(11-14)22-25-18-10-5-4-9-16(18)23(27-22)26-19-12-17(24)20(28-2)13-21(19)29-3/h4-13H,1-3H3,(H,25,26,27)
InChIKeyKUXMYDCRFRVKFH-UHFFFAOYSA-N
MW405.89 g/mol
LogP6.02
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine (PubChem CID 22310713) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine
PubChem CID22310713
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine
SMILESCOc1cc(OC)c(Nc2nc(-c3cccc(C)c3)nc3ccccc23)cc1Cl
InChIInChI=1S/C23H20ClN3O2/c1-14-7-6-8-15(11-14)22-25-18-10-5-4-9-16(18)23(27-22)26-19-12-17(24)20(28-2)13-21(19)29-3/h4-13H,1-3H3,(H,25,26,27)
InChIKeyKUXMYDCRFRVKFH-UHFFFAOYSA-N
XLogP6.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine (CID 22310713) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine is COc1cc(OC)c(Nc2nc(-c3cccc(C)c3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is KUXMYDCRFRVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-14-7-6-8-15(11-14)22-25-18-10-5-4-9-16(18)23(27-22)26-19-12-17(24)20(28-2)13-21(19)29-3/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 405.89 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 22310713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).