2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide

C18H16N2O3 — CID 141428166

IUPAC2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide
SMILESNC(=O)C1=CC2=C(CC3(CC2)C(=O)C3=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16N2O3/c19-17(23)12-8-11-6-7-18(15(21)16(18)22)9-14(11)20(10-12)13-4-2-1-3-5-13/h1-5,8H,6-7,9-10H2,(H2,19,23)
InChIKeyMNFFSRUKOOWZII-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.49
Rot. Bonds2

About 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide

2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide (PubChem CID 141428166) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide
PubChem CID141428166
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide
SMILESNC(=O)C1=CC2=C(CC3(CC2)C(=O)C3=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16N2O3/c19-17(23)12-8-11-6-7-18(15(21)16(18)22)9-14(11)20(10-12)13-4-2-1-3-5-13/h1-5,8H,6-7,9-10H2,(H2,19,23)
InChIKeyMNFFSRUKOOWZII-UHFFFAOYSA-N
XLogP1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
2-aminoacetic acid;1-phenylimidazolidine-2,4-dione
CID 174973265
(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 167011785
7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 148516761
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 118570550
2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
CID 152760313
(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione
CID 154707611
diethyl 2-oxo-1-phenylpiperidine-4,4-dicarboxylate
CID 54527623
1-acetyl-3-phenyl-1,3-thiazinan-1-ium-4-one
CID 165346784
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
4-oxo-N,1,2-triphenylazetidine-2-carboxamide
CID 4564262

Frequently Asked Questions

What is the IUPAC name of 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide (CID 141428166) is 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide is NC(=O)C1=CC2=C(CC3(CC2)C(=O)C3=O)N(c2ccccc2)C1.
What is the InChIKey of 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide?
The InChIKey is MNFFSRUKOOWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-17(23)12-8-11-6-7-18(15(21)16(18)22)9-14(11)20(10-12)13-4-2-1-3-5-13/h1-5,8H,6-7,9-10H2,(H2,19,23).
What are the key properties of 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide?
2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-dioxo-1-phenylspiro[2,5,6,8-tetrahydroquinoline-7,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 141428166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).