[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone

C19H24N2O3 — CID 111429757

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(C(C)O)CC3)c(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-12-17(10-15-4-5-16(24-3)11-18(15)20-12)19(23)21-8-6-14(7-9-21)13(2)22/h4-5,10-11,13-14,22H,6-9H2,1-3H3
InChIKeyMOKMENWQDFYFEN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.78
Rot. Bonds3

About [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone (PubChem CID 111429757) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
PubChem CID111429757
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(C(C)O)CC3)c(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-12-17(10-15-4-5-16(24-3)11-18(15)20-12)19(23)21-8-6-14(7-9-21)13(2)22/h4-5,10-11,13-14,22H,6-9H2,1-3H3
InChIKeyMOKMENWQDFYFEN-UHFFFAOYSA-N
XLogP2.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone with MolForge

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519367
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55977388
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 55724482
2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 78902446
7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 134047010
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
7-methoxy-2-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-3-carboxamide
CID 94815456
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone (CID 111429757) is [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone is COc1ccc2cc(C(=O)N3CCC(C(C)O)CC3)c(C)nc2c1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The InChIKey is MOKMENWQDFYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-17(10-15-4-5-16(24-3)11-18(15)20-12)19(23)21-8-6-14(7-9-21)13(2)22/h4-5,10-11,13-14,22H,6-9H2,1-3H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone is sourced from PubChem (CID 111429757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).