1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide

C24H20N4O2 — CID 15952939

IUPAC1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc2[nH]c3c(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C24H20N4O2/c29-22(28-19-9-7-14-4-1-2-5-17(14)26-19)15-6-8-18-16(12-15)20-21(27-18)23(30)25-13-24(20)10-3-11-24/h1-2,4-9,12,27H,3,10-11,13H2,(H,25,30)(H,26,28,29)
InChIKeySPVUHIBRAHTYEV-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.13
Rot. Bonds2

About 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide

1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide (PubChem CID 15952939) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide.

Molecular Properties

Compound Name1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide
PubChem CID15952939
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc2[nH]c3c(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C24H20N4O2/c29-22(28-19-9-7-14-4-1-2-5-17(14)26-19)15-6-8-18-16(12-15)20-21(27-18)23(30)25-13-24(20)10-3-11-24/h1-2,4-9,12,27H,3,10-11,13H2,(H,25,30)(H,26,28,29)
InChIKeySPVUHIBRAHTYEV-UHFFFAOYSA-N
XLogP4.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide?
The IUPAC name of 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide (CID 15952939) is 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide.
What is the SMILES notation for 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide?
The canonical SMILES for 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide is O=C(Nc1ccc2ccccc2n1)c1ccc2[nH]c3c(c2c1)C1(CCC1)CNC3=O.
What is the InChIKey of 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide?
The InChIKey is SPVUHIBRAHTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-22(28-19-9-7-14-4-1-2-5-17(14)26-19)15-6-8-18-16(12-15)20-21(27-18)23(30)25-13-24(20)10-3-11-24/h1-2,4-9,12,27H,3,10-11,13H2,(H,25,30)(H,26,28,29).
What are the key properties of 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide?
1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-quinolin-2-ylspiro[3,9-dihydro-2H-pyrido[3,4-b]indole-4,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 15952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).