N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

C20H27ClN4O4 — CID 119664601

IUPACN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H26N4O4.ClH/c21-8-3-11-28-14-6-9-24(10-7-14)18(25)13-23-20(27)16-12-22-17-5-2-1-4-15(17)19(16)26;/h1-2,4-5,12,14H,3,6-11,13,21H2,(H,22,26)(H,23,27);1H
InChIKeyVDMHSZPMZCWRHJ-UHFFFAOYSA-N
MW422.91 g/mol
LogP1.04
Rot. Bonds7

About N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119664601) has the molecular formula C20H27ClN4O4 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119664601
Molecular FormulaC20H27ClN4O4
Molecular Weight422.91 g/mol
Exact Mass422.17
IUPAC NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H26N4O4.ClH/c21-8-3-11-28-14-6-9-24(10-7-14)18(25)13-23-20(27)16-12-22-17-5-2-1-4-15(17)19(16)26;/h1-2,4-5,12,14H,3,6-11,13,21H2,(H,22,26)(H,23,27);1H
InChIKeyVDMHSZPMZCWRHJ-UHFFFAOYSA-N
XLogP1.04
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119469697
10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119662758
N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55790883
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;hydrochloride
CID 119663151
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 119664601) is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is Cl.NCCCOC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is VDMHSZPMZCWRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4.ClH/c21-8-3-11-28-14-6-9-24(10-7-14)18(25)13-23-20(27)16-12-22-17-5-2-1-4-15(17)19(16)26;/h1-2,4-5,12,14H,3,6-11,13,21H2,(H,22,26)(H,23,27);1H.
What are the key properties of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 422.91 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119664601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).