N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C16H22N2O4 — CID 66495461

IUPACN-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOCCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C16H22N2O4/c1-16(2)8-12-10(13(19)9-16)7-11(15(21)18-12)14(20)17-5-4-6-22-3/h7H,4-6,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWWCANXRZJZLVMW-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.30
Rot. Bonds5

About N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 66495461) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID66495461
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOCCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C16H22N2O4/c1-16(2)8-12-10(13(19)9-16)7-11(15(21)18-12)14(20)17-5-4-6-22-3/h7H,4-6,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWWCANXRZJZLVMW-UHFFFAOYSA-N
XLogP1.30
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.30
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

N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467
6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
CID 119219815
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 86938599
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 51053291
7,7-dimethyl-2,5-dioxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562685
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562611
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 128528204
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565579

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 66495461) is N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COCCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is WWCANXRZJZLVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2)8-12-10(13(19)9-16)7-11(15(21)18-12)14(20)17-5-4-6-22-3/h7H,4-6,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66495461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).