6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one

C19H27N3O2 — CID 167974950

IUPAC6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNCC1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H27N3O2/c1-2-20-13-14-7-9-22(10-8-14)19(24)12-15-3-5-17-16(11-15)4-6-18(23)21-17/h3,5,11,14,20H,2,4,6-10,12-13H2,1H3,(H,21,23)
InChIKeyDPPPVTGUVNZRNM-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.96
Rot. Bonds5

About 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167974950) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167974950
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNCC1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H27N3O2/c1-2-20-13-14-7-9-22(10-8-14)19(24)12-15-3-5-17-16(11-15)4-6-18(23)21-17/h3,5,11,14,20H,2,4,6-10,12-13H2,1H3,(H,21,23)
InChIKeyDPPPVTGUVNZRNM-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[2-oxo-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167776309
6-[4-[4-(ethylaminomethyl)piperidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119646080
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 110801831
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
7-[4-(ethylaminomethyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 119646360
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one (CID 167974950) is 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one is CCNCC1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DPPPVTGUVNZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-20-13-14-7-9-22(10-8-14)19(24)12-15-3-5-17-16(11-15)4-6-18(23)21-17/h3,5,11,14,20H,2,4,6-10,12-13H2,1H3,(H,21,23).
What are the key properties of 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167974950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).