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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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25156750
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
CID 11633172
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
6-(2,6-dimethyl-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25196390
3-(2-methylpiperidin-1-yl)-2-quinolin-6-ylpropan-1-amine
CID 82107815
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one;sulfuric acid
CID 11539261

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).