(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide

C18H19N3O2 — CID 129347074

IUPAC(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide
SMILESN#C[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC12CCCC2
InChIInChI=1S/C18H19N3O2/c19-11-18(10-17(18)7-1-2-8-17)16(23)20-13-4-5-14-12(9-13)3-6-15(22)21-14/h4-5,9H,1-3,6-8,10H2,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyARFHRFCDLFFEGK-GOSISDBHSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds2

About (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide

(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide (PubChem CID 129347074) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide
PubChem CID129347074
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide
SMILESN#C[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC12CCCC2
InChIInChI=1S/C18H19N3O2/c19-11-18(10-17(18)7-1-2-8-17)16(23)20-13-4-5-14-12(9-13)3-6-15(22)21-14/h4-5,9H,1-3,6-8,10H2,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyARFHRFCDLFFEGK-GOSISDBHSA-N
XLogP2.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide (CID 129347074) is (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide is N#C[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC12CCCC2.
What is the InChIKey of (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is ARFHRFCDLFFEGK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-11-18(10-17(18)7-1-2-8-17)16(23)20-13-4-5-14-12(9-13)3-6-15(22)21-14/h4-5,9H,1-3,6-8,10H2,(H,20,23)(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide?
(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 129347074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).