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

C22H17Cl2N3O2 — CID 22330315

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine
SMILESCOc1cc(OC)c(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-28-19-12-20(29-2)18(11-16(19)24)26-22-14-8-4-6-10-17(14)25-21(27-22)13-7-3-5-9-15(13)23/h3-12H,1-2H3,(H,25,26,27)
InChIKeyNLRKNHLZNCKJFR-UHFFFAOYSA-N
MW426.30 g/mol
LogP6.36
Rot. Bonds5

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine (PubChem CID 22330315) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine
PubChem CID22330315
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine
SMILESCOc1cc(OC)c(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-28-19-12-20(29-2)18(11-16(19)24)26-22-14-8-4-6-10-17(14)25-21(27-22)13-7-3-5-9-15(13)23/h3-12H,1-2H3,(H,25,26,27)
InChIKeyNLRKNHLZNCKJFR-UHFFFAOYSA-N
XLogP6.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.36
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-(2-chlorophenyl)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine (CID 22330315) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine is COc1cc(OC)c(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine?
The InChIKey is NLRKNHLZNCKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-28-19-12-20(29-2)18(11-16(19)24)26-22-14-8-4-6-10-17(14)25-21(27-22)13-7-3-5-9-15(13)23/h3-12H,1-2H3,(H,25,26,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-chlorophenyl)quinazolin-4-amine has a molecular weight of 426.30 g/mol, XLogP of 6.36, 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-(2-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 22330315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).