1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one

C18H19NO3 — CID 14846971

IUPAC1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one
SMILESO=c1ccc2c(n1Cc1ccccc1)CCC1(C2)OCCO1
InChIInChI=1S/C18H19NO3/c20-17-7-6-15-12-18(21-10-11-22-18)9-8-16(15)19(17)13-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeyCCWIGGUDLVEUIV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.13
Rot. Bonds2

About 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one

1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one (PubChem CID 14846971) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one.

Molecular Properties

Compound Name1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one
PubChem CID14846971
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one
SMILESO=c1ccc2c(n1Cc1ccccc1)CCC1(C2)OCCO1
InChIInChI=1S/C18H19NO3/c20-17-7-6-15-12-18(21-10-11-22-18)9-8-16(15)19(17)13-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeyCCWIGGUDLVEUIV-UHFFFAOYSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
CID 10640829
N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide
CID 166423715
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide
CID 156858812
N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide
CID 10732904
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]prop-2-enamide
CID 11185702
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one
CID 11821779
(2S)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one
CID 11832566
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-phenylprop-2-en-1-one
CID 24285618
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]but-3-enamide
CID 25232470
(2S)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyridin-6-one
CID 25232471
(E)-1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 56348827
3-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 56403687

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one?
The IUPAC name of 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one (CID 14846971) is 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one.
What is the SMILES notation for 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one?
The canonical SMILES for 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one is O=c1ccc2c(n1Cc1ccccc1)CCC1(C2)OCCO1.
What is the InChIKey of 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one?
The InChIKey is CCWIGGUDLVEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17-7-6-15-12-18(21-10-11-22-18)9-8-16(15)19(17)13-14-4-2-1-3-5-14/h1-7H,8-13H2.
What are the key properties of 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one?
1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one has a molecular weight of 297.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one is sourced from PubChem (CID 14846971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).