N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H18N2O3 — CID 154867397

IUPACN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@H]43)cc21
InChIInChI=1S/C20H18N2O3/c23-16-7-3-6-15-12(16)9-14(19(24)21-15)20(25)22-18-13-8-10-4-1-2-5-11(10)17(13)18/h1-2,4-5,9,13,17-18H,3,6-8H2,(H,21,24)(H,22,25)/t13-,17+,18+/m0/s1
InChIKeyJQOUUNAXIKMTMM-MORSLUCNSA-N
MW334.38 g/mol
LogP1.96
Rot. Bonds2

About N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 154867397) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID154867397
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@H]43)cc21
InChIInChI=1S/C20H18N2O3/c23-16-7-3-6-15-12(16)9-14(19(24)21-15)20(25)22-18-13-8-10-4-1-2-5-11(10)17(13)18/h1-2,4-5,9,13,17-18H,3,6-8H2,(H,21,24)(H,22,25)/t13-,17+,18+/m0/s1
InChIKeyJQOUUNAXIKMTMM-MORSLUCNSA-N
XLogP1.96
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330887
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3-dihydroxybenzamide
CID 124625638
N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36811908
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 95173403
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3,5,6-tetrafluorobenzamide
CID 98556741
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-amino-2,4-dichlorobenzamide
CID 124744341
N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495462
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 154867397) is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@H]43)cc21.
What is the InChIKey of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JQOUUNAXIKMTMM-MORSLUCNSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-16-7-3-6-15-12(16)9-14(19(24)21-15)20(25)22-18-13-8-10-4-1-2-5-11(10)17(13)18/h1-2,4-5,9,13,17-18H,3,6-8H2,(H,21,24)(H,22,25)/t13-,17+,18+/m0/s1.
What are the key properties of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 154867397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).