N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide

C21H29N3O3 — CID 37473319

IUPACN-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)CN1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-27-18-6-7-19-16(13-18)3-2-10-24(19)20(25)14-23-11-8-17(9-12-23)22-21(26)15-4-5-15/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,26)
InChIKeyKUBLZCQQFYCSIC-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.97
Rot. Bonds5

About N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 37473319) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID37473319
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)CN1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-27-18-6-7-19-16(13-18)3-2-10-24(19)20(25)14-23-11-8-17(9-12-23)22-21(26)15-4-5-15/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,26)
InChIKeyKUBLZCQQFYCSIC-UHFFFAOYSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919154
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220971
N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
CID 55917484
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 35137501
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55853548
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide (CID 37473319) is N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide is COc1ccc2c(c1)CCCN2C(=O)CN1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KUBLZCQQFYCSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-18-6-7-19-16(13-18)3-2-10-24(19)20(25)14-23-11-8-17(9-12-23)22-21(26)15-4-5-15/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,26).
What are the key properties of N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 37473319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).