2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline

C24H29N3O2 — CID 70715619

IUPAC2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)CC2)cc1OC
InChIInChI=1S/C24H29N3O2/c1-17-5-6-18-14-20(16-27-11-9-26(2)10-12-27)24(25-21(18)13-17)19-7-8-22(28-3)23(15-19)29-4/h5-8,13-15H,9-12,16H2,1-4H3
InChIKeyQQVXTYDSNQVKQC-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.97
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline

2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline (PubChem CID 70715619) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline
PubChem CID70715619
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)CC2)cc1OC
InChIInChI=1S/C24H29N3O2/c1-17-5-6-18-14-20(16-27-11-9-26(2)10-12-27)24(25-21(18)13-17)19-7-8-22(28-3)23(15-19)29-4/h5-8,13-15H,9-12,16H2,1-4H3
InChIKeyQQVXTYDSNQVKQC-UHFFFAOYSA-N
XLogP3.97
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline (CID 70715619) is 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline is COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline?
The InChIKey is QQVXTYDSNQVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-5-6-18-14-20(16-27-11-9-26(2)10-12-27)24(25-21(18)13-17)19-7-8-22(28-3)23(15-19)29-4/h5-8,13-15H,9-12,16H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline?
2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline has a molecular weight of 391.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 70715619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).