4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide

C20H22BrN3 — CID 131872360

IUPAC4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
SMILESBr.CC1CCCCN1c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H21N3.BrH/c1-15-8-5-7-13-23(15)20-14-19(18-11-4-6-12-21-18)22-17-10-3-2-9-16(17)20;/h2-4,6,9-12,14-15H,5,7-8,13H2,1H3;1H
InChIKeySFORNJDVQZZTNA-UHFFFAOYSA-N
MW384.32 g/mol
LogP5.25
Rot. Bonds2

About 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide

4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide (PubChem CID 131872360) has the molecular formula C20H22BrN3 and a molecular weight of 384.32 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
PubChem CID131872360
Molecular FormulaC20H22BrN3
Molecular Weight384.32 g/mol
Exact Mass383.10
IUPAC Name4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
SMILESBr.CC1CCCCN1c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H21N3.BrH/c1-15-8-5-7-13-23(15)20-14-19(18-11-4-6-12-21-18)22-17-10-3-2-9-16(17)20;/h2-4,6,9-12,14-15H,5,7-8,13H2,1H3;1H
InChIKeySFORNJDVQZZTNA-UHFFFAOYSA-N
XLogP5.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
CID 45052924
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
CID 91938127
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline
CID 91938128
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241
4-chloro-2-pyridin-2-ylquinoline
CID 24903559

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide (CID 131872360) is 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide is Br.CC1CCCCN1c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The InChIKey is SFORNJDVQZZTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.BrH/c1-15-8-5-7-13-23(15)20-14-19(18-11-4-6-12-21-18)22-17-10-3-2-9-16(17)20;/h2-4,6,9-12,14-15H,5,7-8,13H2,1H3;1H.
What are the key properties of 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide has a molecular weight of 384.32 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide is sourced from PubChem (CID 131872360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).