2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine

C25H26N4 — CID 11574500

IUPAC2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
SMILESCc1nc2ncccc2cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1
InChIInChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3
InChIKeyVLKAMDZYTNJHHG-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.18
Rot. Bonds4

About 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine

2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine (PubChem CID 11574500) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
PubChem CID11574500
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
SMILESCc1nc2ncccc2cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1
InChIInChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3
InChIKeyVLKAMDZYTNJHHG-UHFFFAOYSA-N
XLogP5.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine?
The IUPAC name of 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine (CID 11574500) is 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine?
The canonical SMILES for 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine is Cc1nc2ncccc2cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1.
What is the InChIKey of 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine?
The InChIKey is VLKAMDZYTNJHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3.
What are the key properties of 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine?
2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine has a molecular weight of 382.51 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine is sourced from PubChem (CID 11574500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).