2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide

C19H22N4O3 — CID 146041384

IUPAC2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
SMILESCN1CC2(CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)OCC1=O
InChIInChI=1S/C19H22N4O3/c1-22-12-19(26-11-17(22)24)6-8-23(9-7-19)16-10-14(18(20)25)13-4-2-3-5-15(13)21-16/h2-5,10H,6-9,11-12H2,1H3,(H2,20,25)
InChIKeyFNZNPSHKGOJXQS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.16
Rot. Bonds2

About 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide

2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide (PubChem CID 146041384) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
PubChem CID146041384
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
SMILESCN1CC2(CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)OCC1=O
InChIInChI=1S/C19H22N4O3/c1-22-12-19(26-11-17(22)24)6-8-23(9-7-19)16-10-14(18(20)25)13-4-2-3-5-15(13)21-16/h2-5,10H,6-9,11-12H2,1H3,(H2,20,25)
InChIKeyFNZNPSHKGOJXQS-UHFFFAOYSA-N
XLogP1.16
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
CID 154888897
2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
CID 175643931
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56888587
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]quinoline-4-carboxylic acid;formic acid
CID 163333635

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide (CID 146041384) is 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide is CN1CC2(CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)OCC1=O.
What is the InChIKey of 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide?
The InChIKey is FNZNPSHKGOJXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-12-19(26-11-17(22)24)6-8-23(9-7-19)16-10-14(18(20)25)13-4-2-3-5-15(13)21-16/h2-5,10H,6-9,11-12H2,1H3,(H2,20,25).
What are the key properties of 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide?
2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide is sourced from PubChem (CID 146041384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).