2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

C22H32N4O — CID 136528489

IUPAC2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)c2ccccc2n1
InChIInChI=1S/C22H32N4O/c1-17(2)26-12-13-27-19(16-26)15-24-8-10-25(11-9-24)22-14-18(3)23-21-7-5-4-6-20(21)22/h4-7,14,17,19H,8-13,15-16H2,1-3H3
InChIKeyOJGJWRMQCGBKLE-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.77
Rot. Bonds4

About 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 136528489) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID136528489
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)c2ccccc2n1
InChIInChI=1S/C22H32N4O/c1-17(2)26-12-13-27-19(16-26)15-24-8-10-25(11-9-24)22-14-18(3)23-21-7-5-4-6-20(21)22/h4-7,14,17,19H,8-13,15-16H2,1-3H3
InChIKeyOJGJWRMQCGBKLE-UHFFFAOYSA-N
XLogP2.77
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133470340
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
4-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-methylquinoline
CID 80670661
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
CID 95556392
2-[[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133329495
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913796
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 136528489) is 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is Cc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is OJGJWRMQCGBKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17(2)26-12-13-27-19(16-26)15-24-8-10-25(11-9-24)22-14-18(3)23-21-7-5-4-6-20(21)22/h4-7,14,17,19H,8-13,15-16H2,1-3H3.
What are the key properties of 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 368.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 136528489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).