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

C18H17ClN2O3 — CID 15988395

IUPACN-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17ClN2O3/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)
InChIKeyNYIAYAVVAQCDOP-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.44
Rot. Bonds2

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

N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 15988395) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID15988395
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17ClN2O3/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)
InChIKeyNYIAYAVVAQCDOP-UHFFFAOYSA-N
XLogP3.44
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 15988395) is N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2C1.
What is the InChIKey of N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is NYIAYAVVAQCDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/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-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15988395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).