N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H18N2O3 — CID 33330216

IUPACN-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1C
InChIInChI=1S/C18H18N2O3/c1-10-5-3-6-14(11(10)2)19-17(22)13-9-12-15(20-18(13)23)7-4-8-16(12)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVYSCSQQYGBNVSD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.76
Rot. Bonds2

About N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33330216) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33330216
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1C
InChIInChI=1S/C18H18N2O3/c1-10-5-3-6-14(11(10)2)19-17(22)13-9-12-15(20-18(13)23)7-4-8-16(12)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVYSCSQQYGBNVSD-UHFFFAOYSA-N
XLogP2.76
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39977206
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33331086
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495557
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
7-methyl-2,5-dioxo-N-quinolin-5-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054909
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495293

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33330216) is N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VYSCSQQYGBNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-5-3-6-14(11(10)2)19-17(22)13-9-12-15(20-18(13)23)7-4-8-16(12)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).