6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

C22H26N2O2 — CID 169199765

IUPAC6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESCOc1cc(C2=CCC3(CC2)CC3)c2ncc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C22H26N2O2/c1-14(2)24-21(25)17-10-16-11-18(26-3)12-19(20(16)23-13-17)15-4-6-22(7-5-15)8-9-22/h4,10-14H,5-9H2,1-3H3,(H,24,25)
InChIKeyYAVPIHYXQDCWQH-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.73
Rot. Bonds4

About 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (PubChem CID 169199765) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
PubChem CID169199765
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESCOc1cc(C2=CCC3(CC2)CC3)c2ncc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C22H26N2O2/c1-14(2)24-21(25)17-10-16-11-18(26-3)12-19(20(16)23-13-17)15-4-6-22(7-5-15)8-9-22/h4,10-14H,5-9H2,1-3H3,(H,24,25)
InChIKeyYAVPIHYXQDCWQH-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide
CID 170163604
N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 169199905
N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 175968292
5-(2,2-difluorospiro[3.5]non-7-en-7-yl)-N-propan-2-ylquinoline-3-carboxamide
CID 169199808
8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
CID 169199896
8-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[(2R)-1-hydroxypropan-2-yl]-6-methoxyquinoline-3-carboxamide
CID 166552529
methyl 6-methoxy-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxylate
CID 170163097
(2E)-2-[[3-(4,4-dimethylcyclohexen-1-yl)-5-methoxy-2-methylphenyl]methylidene]-N-propan-2-ylbut-3-enamide
CID 169199761
6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199917
8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide
CID 169199941
8-(4,4-difluorocyclohexen-1-yl)quinoline-3-carboxylic acid;ethane
CID 169199637
(2R)-2-[[6-methoxy-8-[4-(trifluoromethyl)piperidin-1-yl]quinoline-3-carbonyl]amino]propanoic acid
CID 166552561

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (CID 169199765) is 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is COc1cc(C2=CCC3(CC2)CC3)c2ncc(C(=O)NC(C)C)cc2c1.
What is the InChIKey of 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The InChIKey is YAVPIHYXQDCWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)24-21(25)17-10-16-11-18(26-3)12-19(20(16)23-13-17)15-4-6-22(7-5-15)8-9-22/h4,10-14H,5-9H2,1-3H3,(H,24,25).
What are the key properties of 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is sourced from PubChem (CID 169199765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).