4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C18H25N3O3 — CID 119664135

IUPAC4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCOC1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H25N3O3/c19-8-3-11-24-13-6-9-21(10-7-13)18(23)15-12-17(22)20-16-5-2-1-4-14(15)16/h1-2,4-5,13,15H,3,6-12,19H2,(H,20,22)
InChIKeyCKEVKRWDKFTTQO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.47
Rot. Bonds5

About 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119664135) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID119664135
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCOC1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H25N3O3/c19-8-3-11-24-13-6-9-21(10-7-13)18(23)15-12-17(22)20-16-5-2-1-4-14(15)16/h1-2,4-5,13,15H,3,6-12,19H2,(H,20,22)
InChIKeyCKEVKRWDKFTTQO-UHFFFAOYSA-N
XLogP1.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111561306
(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582824
(4S)-4-[(3S)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582825
4-(3-ethoxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 56819858
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119663727
4-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154864575
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119541751
N-(2-aminoethyl)-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481836
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 119664135) is 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is NCCCOC1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CKEVKRWDKFTTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-8-3-11-24-13-6-9-21(10-7-13)18(23)15-12-17(22)20-16-5-2-1-4-14(15)16/h1-2,4-5,13,15H,3,6-12,19H2,(H,20,22).
What are the key properties of 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119664135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).