6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine

C24H23ClN4O2 — CID 11259095

IUPAC6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N(C)c3ccc(OC)cc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C24H23ClN4O2/c1-28(17-6-10-19(30-3)11-7-17)23-21-15-16(25)5-14-22(21)26-24(27-23)29(2)18-8-12-20(31-4)13-9-18/h5-15H,1-4H3
InChIKeyGHJBFYKMWVRJFY-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.84
Rot. Bonds6

About 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine

6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 11259095) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID11259095
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N(C)c3ccc(OC)cc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C24H23ClN4O2/c1-28(17-6-10-19(30-3)11-7-17)23-21-15-16(25)5-14-22(21)26-24(27-23)29(2)18-8-12-20(31-4)13-9-18/h5-15H,1-4H3
InChIKeyGHJBFYKMWVRJFY-UHFFFAOYSA-N
XLogP5.84
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine (CID 11259095) is 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is COc1ccc(N(C)c2nc(N(C)c3ccc(OC)cc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is GHJBFYKMWVRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-28(17-6-10-19(30-3)11-7-17)23-21-15-16(25)5-14-22(21)26-24(27-23)29(2)18-8-12-20(31-4)13-9-18/h5-15H,1-4H3.
What are the key properties of 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine?
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 434.93 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 11259095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).