1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide

C19H24N4O2 — CID 15232962

IUPAC1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-3-23-16-7-5-4-6-15(16)18(24)17(21-23)19(25)20-12-10-13-8-9-14(11-12)22(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,25)
InChIKeyURTTUOQZSAZVIO-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.77
Rot. Bonds3

About 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide

1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide (PubChem CID 15232962) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
PubChem CID15232962
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-3-23-16-7-5-4-6-15(16)18(24)17(21-23)19(25)20-12-10-13-8-9-14(11-12)22(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,25)
InChIKeyURTTUOQZSAZVIO-UHFFFAOYSA-N
XLogP1.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide with MolForge

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202
8-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide
CID 19423201
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide
CID 127398306
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
(Z)-but-2-enedioic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 53251841
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
CID 70106637
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
methyl 2-[(1-ethyl-4-oxocinnoline-3-carbonyl)amino]-3-methylbutanoate
CID 75770241

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide (CID 15232962) is 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide is CCn1nc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide?
The InChIKey is URTTUOQZSAZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23-16-7-5-4-6-15(16)18(24)17(21-23)19(25)20-12-10-13-8-9-14(11-12)22(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,25).
What are the key properties of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide?
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide is sourced from PubChem (CID 15232962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).