7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride

C18H26ClN3O3 — CID 120555189

IUPAC7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-10-9-19-5-4-13(10)20-16(23)12-6-11-14(21-17(12)24)7-18(2,3)8-15(11)22;/h6,10,13,19H,4-5,7-9H2,1-3H3,(H,20,23)(H,21,24);1H
InChIKeyPFVPTVLKRIORCG-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.68
Rot. Bonds2

About 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride

7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 120555189) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID120555189
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-10-9-19-5-4-13(10)20-16(23)12-6-11-14(21-17(12)24)7-18(2,3)8-15(11)22;/h6,10,13,19H,4-5,7-9H2,1-3H3,(H,20,23)(H,21,24);1H
InChIKeyPFVPTVLKRIORCG-UHFFFAOYSA-N
XLogP1.68
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559812
7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563593
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36811908
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 120655797
7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565515
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120557423

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride (CID 120555189) is 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.Cl.
What is the InChIKey of 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is PFVPTVLKRIORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-10-9-19-5-4-13(10)20-16(23)12-6-11-14(21-17(12)24)7-18(2,3)8-15(11)22;/h6,10,13,19H,4-5,7-9H2,1-3H3,(H,20,23)(H,21,24);1H.
What are the key properties of 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride?
7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 120555189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).