6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid

C18H24N2O5 — CID 119219815

IUPAC6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCCCCC(=O)O)c(=O)[nH]c2C1
InChIInChI=1S/C18H24N2O5/c1-18(2)9-13-11(14(21)10-18)8-12(17(25)20-13)16(24)19-7-5-3-4-6-15(22)23/h8H,3-7,9-10H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)
InChIKeyKQIPQSRMSWAPDP-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.90
Rot. Bonds7

About 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid

6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid (PubChem CID 119219815) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
PubChem CID119219815
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCCCCC(=O)O)c(=O)[nH]c2C1
InChIInChI=1S/C18H24N2O5/c1-18(2)9-13-11(14(21)10-18)8-12(17(25)20-13)16(24)19-7-5-3-4-6-15(22)23/h8H,3-7,9-10H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)
InChIKeyKQIPQSRMSWAPDP-UHFFFAOYSA-N
XLogP1.90
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495461
N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467
3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-ethylamino]propanoic acid
CID 119191038
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
3-[4-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]phenyl]propanoic acid
CID 119252215
N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56738107
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,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
(2S,3S)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-methylpentanoic acid
CID 119193879
N-[2-(4-bromophenyl)-2-methylpropyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565317

Frequently Asked Questions

What is the IUPAC name of 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid (CID 119219815) is 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid is CC1(C)CC(=O)c2cc(C(=O)NCCCCCC(=O)O)c(=O)[nH]c2C1.
What is the InChIKey of 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid?
The InChIKey is KQIPQSRMSWAPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2)9-13-11(14(21)10-18)8-12(17(25)20-13)16(24)19-7-5-3-4-6-15(22)23/h8H,3-7,9-10H2,1-2H3,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid?
6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119219815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).