7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide

C17H23N3O2 — CID 138053201

IUPAC7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC3COC4(CCC4)C3)cc21
InChIInChI=1S/C17H23N3O2/c18-16(21)20-8-1-3-12-4-5-13(9-15(12)20)19-14-10-17(22-11-14)6-2-7-17/h4-5,9,14,19H,1-3,6-8,10-11H2,(H2,18,21)
InChIKeyDFMQNNZVEWCALH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds2

About 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide

7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 138053201) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID138053201
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC3COC4(CCC4)C3)cc21
InChIInChI=1S/C17H23N3O2/c18-16(21)20-8-1-3-12-4-5-13(9-15(12)20)19-14-10-17(22-11-14)6-2-7-17/h4-5,9,14,19H,1-3,6-8,10-11H2,(H2,18,21)
InChIKeyDFMQNNZVEWCALH-UHFFFAOYSA-N
XLogP2.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide with MolForge

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Related Compounds

7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 167755820
ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate
CID 122147219
4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122033630
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
cis-(1R,3S)-3-[(1-carbamoyl-2,3-dihydroindol-6-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066499
7-[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154840494
7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 126805682
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
CID 7586298
7-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 125139418
7-[1-(2-methoxyphenyl)propan-2-ylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 122147225
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451
[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone
CID 129487976

Frequently Asked Questions

What is the IUPAC name of 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 138053201) is 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide is NC(=O)N1CCCc2ccc(NC3COC4(CCC4)C3)cc21.
What is the InChIKey of 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is DFMQNNZVEWCALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-16(21)20-8-1-3-12-4-5-13(9-15(12)20)19-14-10-17(22-11-14)6-2-7-17/h4-5,9,14,19H,1-3,6-8,10-11H2,(H2,18,21).
What are the key properties of 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide?
7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 138053201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).