3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide

C24H26N2O4 — CID 51862890

IUPAC3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C24H26N2O4/c27-22(11-8-17-14-16-6-2-3-7-19(16)26-23(17)28)25-18-9-10-20-21(15-18)30-24(29-20)12-4-1-5-13-24/h2-3,6-7,9-10,15,17H,1,4-5,8,11-14H2,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyWSQWAZGYWRDBBY-KRWDZBQOSA-N
MW406.48 g/mol
LogP4.65
Rot. Bonds4

About 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide

3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (PubChem CID 51862890) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.

Molecular Properties

Compound Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
PubChem CID51862890
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C24H26N2O4/c27-22(11-8-17-14-16-6-2-3-7-19(16)26-23(17)28)25-18-9-10-20-21(15-18)30-24(29-20)12-4-1-5-13-24/h2-3,6-7,9-10,15,17H,1,4-5,8,11-14H2,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyWSQWAZGYWRDBBY-KRWDZBQOSA-N
XLogP4.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
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3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262533
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615604
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621317
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615598

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (CID 51862890) is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.
What is the SMILES notation for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The canonical SMILES for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The InChIKey is WSQWAZGYWRDBBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-22(11-8-17-14-16-6-2-3-7-19(16)26-23(17)28)25-18-9-10-20-21(15-18)30-24(29-20)12-4-1-5-13-24/h2-3,6-7,9-10,15,17H,1,4-5,8,11-14H2,(H,25,27)(H,26,28)/t17-/m0/s1.
What are the key properties of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide has a molecular weight of 406.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is sourced from PubChem (CID 51862890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).