4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline

C24H31N3 — CID 10689971

IUPAC4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)CC1
InChIInChI=1S/C24H31N3/c1-26-6-8-27(9-7-26)23-13-21(20-4-2-3-5-22(20)25-23)24-14-17-10-18(15-24)12-19(11-17)16-24/h2-5,13,17-19H,6-12,14-16H2,1H3
InChIKeyQYTDTLITUGNHTH-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.45
Rot. Bonds2

About 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline

4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline (PubChem CID 10689971) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline
PubChem CID10689971
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)CC1
InChIInChI=1S/C24H31N3/c1-26-6-8-27(9-7-26)23-13-21(20-4-2-3-5-22(20)25-23)24-14-17-10-18(15-24)12-19(11-17)16-24/h2-5,13,17-19H,6-12,14-16H2,1H3
InChIKeyQYTDTLITUGNHTH-UHFFFAOYSA-N
XLogP4.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
CID 61256156
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide
CID 16727608
4-(1-adamantyl)-N'-[(2S)-2-aminopropanoyl]quinoline-2-carbohydrazide
CID 42631594
N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67455415
6,9-bis(1-adamantyl)-8-fluorophenanthridine
CID 154722085
N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 7342328
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline (CID 10689971) is 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)CC1.
What is the InChIKey of 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is QYTDTLITUGNHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-26-6-8-27(9-7-26)23-13-21(20-4-2-3-5-22(20)25-23)24-14-17-10-18(15-24)12-19(11-17)16-24/h2-5,13,17-19H,6-12,14-16H2,1H3.
What are the key properties of 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline?
4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 361.53 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 10689971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).