2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile

C24H26N4 — CID 46890475

IUPAC2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N
InChIInChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKeyABCLYDOXFRWKNB-MRXNPFEDSA-N
MW370.50 g/mol
LogP4.81
Rot. Bonds4

About 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile

2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile (PubChem CID 46890475) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile
PubChem CID46890475
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N
InChIInChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKeyABCLYDOXFRWKNB-MRXNPFEDSA-N
XLogP4.81
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

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CID 62344
Latrepirdine
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Avn-101
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CID 94719
C.I. Basic Orange 14
CID 517204
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CID 135393502
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CID 5721990
Centhaquine
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CID 453050
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CID 16747725
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CID 44432676

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile (CID 46890475) is 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile is Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N.
What is the InChIKey of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile?
The InChIKey is ABCLYDOXFRWKNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile?
2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile has a molecular weight of 370.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 46890475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).