4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide

C21H23N5O2 — CID 166985671

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)NC3CNC3)ccc2[nH]c1=O
InChIInChI=1S/C21H23N5O2/c22-10-16-18(26-7-5-21(3-4-21)6-8-26)15-9-13(1-2-17(15)25-20(16)28)19(27)24-14-11-23-12-14/h1-2,9,14,23H,3-8,11-12H2,(H,24,27)(H,25,28)
InChIKeyVFXQETJJMSGWQP-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.48
Rot. Bonds3

About 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide (PubChem CID 166985671) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
PubChem CID166985671
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)NC3CNC3)ccc2[nH]c1=O
InChIInChI=1S/C21H23N5O2/c22-10-16-18(26-7-5-21(3-4-21)6-8-26)15-9-13(1-2-17(15)25-20(16)28)19(27)24-14-11-23-12-14/h1-2,9,14,23H,3-8,11-12H2,(H,24,27)(H,25,28)
InChIKeyVFXQETJJMSGWQP-UHFFFAOYSA-N
XLogP1.48
TPSA101.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
CID 154993590
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoline-3-carbonitrile
CID 154993566
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
CID 155032193
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019244
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
3-cyano-1-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-quinolin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-6-carboxamide
CID 166985833
4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518196
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518525
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019535
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276412

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide (CID 166985671) is 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide is N#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)NC3CNC3)ccc2[nH]c1=O.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide?
The InChIKey is VFXQETJJMSGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-10-16-18(26-7-5-21(3-4-21)6-8-26)15-9-13(1-2-17(15)25-20(16)28)19(27)24-14-11-23-12-14/h1-2,9,14,23H,3-8,11-12H2,(H,24,27)(H,25,28).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 166985671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).