7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C22H23N5O3 — CID 56565821

IUPAC7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1nc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)n[nH]1
InChIInChI=1S/C22H23N5O3/c1-12-23-19(27-26-12)18(13-7-5-4-6-8-13)25-21(30)15-9-14-16(24-20(15)29)10-22(2,3)11-17(14)28/h4-9,18H,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,23,26,27)
InChIKeyMEUCDWRKLGVGND-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.48
Rot. Bonds4

About 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565821) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56565821
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1nc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)n[nH]1
InChIInChI=1S/C22H23N5O3/c1-12-23-19(27-26-12)18(13-7-5-4-6-8-13)25-21(30)15-9-14-16(24-20(15)29)10-22(2,3)11-17(14)28/h4-9,18H,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,23,26,27)
InChIKeyMEUCDWRKLGVGND-UHFFFAOYSA-N
XLogP2.48
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560369
(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119367652
7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560335
7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565069
7,7-dimethyl-2,5-dioxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560084
7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565259
(2S,3S)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-methylpentanoic acid
CID 119193879
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567229
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-[1-(4-chlorophenyl)-4-methylpentyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567655
propan-2-yl 3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 56567629
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565821) is 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1nc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)n[nH]1.
What is the InChIKey of 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is MEUCDWRKLGVGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12-23-19(27-26-12)18(13-7-5-4-6-8-13)25-21(30)15-9-14-16(24-20(15)29)10-22(2,3)11-17(14)28/h4-9,18H,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,23,26,27).
What are the key properties of 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).