6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline

C22H26N4O2 — CID 22997425

IUPAC6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCOc1cc2nc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-15-5-7-16(8-6-15)21-23-18-14-20(28-4)19(27-3)13-17(18)22(24-21)26-11-9-25(2)10-12-26/h5-8,13-14H,9-12H2,1-4H3
InChIKeyBAUUUJIWUDGRCZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.37
Rot. Bonds4

About 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline

6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 22997425) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID22997425
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCOc1cc2nc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-15-5-7-16(8-6-15)21-23-18-14-20(28-4)19(27-3)13-17(18)22(24-21)26-11-9-25(2)10-12-26/h5-8,13-14H,9-12H2,1-4H3
InChIKeyBAUUUJIWUDGRCZ-UHFFFAOYSA-N
XLogP3.37
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 22997425) is 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is COc1cc2nc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is BAUUUJIWUDGRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-5-7-16(8-6-15)21-23-18-14-20(28-4)19(27-3)13-17(18)22(24-21)26-11-9-25(2)10-12-26/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 378.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 22997425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).