7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C19H25N3O2 — CID 167755820

IUPAC7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC3[C@@H]4CCO[C@@H]4C34CCC4)cc21
InChIInChI=1S/C19H25N3O2/c20-18(23)22-9-1-3-12-4-5-13(11-15(12)22)21-16-14-6-10-24-17(14)19(16)7-2-8-19/h4-5,11,14,16-17,21H,1-3,6-10H2,(H2,20,23)/t14-,16?,17-/m0/s1
InChIKeyDQCCWIHTVNBMFU-NZEUDUFCSA-N
MW327.43 g/mol
LogP2.89
Rot. Bonds2

About 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 167755820) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID167755820
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NC3[C@@H]4CCO[C@@H]4C34CCC4)cc21
InChIInChI=1S/C19H25N3O2/c20-18(23)22-9-1-3-12-4-5-13(11-15(12)22)21-16-14-6-10-24-17(14)19(16)7-2-8-19/h4-5,11,14,16-17,21H,1-3,6-10H2,(H2,20,23)/t14-,16?,17-/m0/s1
InChIKeyDQCCWIHTVNBMFU-NZEUDUFCSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide with MolForge

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Related Compounds

7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 138053201
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
(1R,5R,6R)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124735869
7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 126805682
cis-(1R,3S)-3-[(1-carbamoyl-2,3-dihydroindol-6-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066499
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 97328250
7-[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154840494
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050
3-cyclobutyl-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]propanamide
CID 99635444
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]urea
CID 98794380

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 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) is 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is NC(=O)N1CCCc2ccc(NC3[C@@H]4CCO[C@@H]4C34CCC4)cc21.
What is the InChIKey of 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is DQCCWIHTVNBMFU-NZEUDUFCSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-18(23)22-9-1-3-12-4-5-13(11-15(12)22)21-16-14-6-10-24-17(14)19(16)7-2-8-19/h4-5,11,14,16-17,21H,1-3,6-10H2,(H2,20,23)/t14-,16?,17-/m0/s1.
What are the key properties of 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 167755820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).