N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C18H17IN2O3 — CID 56559812

IUPACN-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17IN2O3/c1-18(2)8-14-12(15(22)9-18)7-13(17(24)21-14)16(23)20-11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAPRNXDHXPZUKJN-UHFFFAOYSA-N
MW436.25 g/mol
LogP3.39
Rot. Bonds2

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

N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56559812) has the molecular formula C18H17IN2O3 and a molecular weight of 436.25 g/mol. Its IUPAC name is N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56559812
Molecular FormulaC18H17IN2O3
Molecular Weight436.25 g/mol
Exact Mass436.03
IUPAC NameN-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17IN2O3/c1-18(2)8-14-12(15(22)9-18)7-13(17(24)21-14)16(23)20-11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAPRNXDHXPZUKJN-UHFFFAOYSA-N
XLogP3.39
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
7,7-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560086
N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495488
3-[4-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]phenyl]propanoic acid
CID 119252215
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570
7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565069
N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560006
7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563167
N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426418
N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565011
methyl 3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]thiophene-2-carboxylate
CID 53007883
N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559597

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56559812) is N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)c(=O)[nH]c2C1.
What is the InChIKey of N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is APRNXDHXPZUKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O3/c1-18(2)8-14-12(15(22)9-18)7-13(17(24)21-14)16(23)20-11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 436.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56559812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).