2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide

C19H22N4O4 — CID 97139058

IUPAC2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCN1C[C@@]2(CCCN(Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O
InChIInChI=1S/C19H22N4O4/c1-22-10-19(27-18(22)26)5-2-6-23(11-19)9-13-8-16(24)14-7-12(17(20)25)3-4-15(14)21-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,20,25)(H,21,24)/t19-/m1/s1
InChIKeyQVRRKXDXVWVDQS-LJQANCHMSA-N
MW370.41 g/mol
LogP1.04
Rot. Bonds3

About 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide

2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 97139058) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
PubChem CID97139058
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCN1C[C@@]2(CCCN(Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O
InChIInChI=1S/C19H22N4O4/c1-22-10-19(27-18(22)26)5-2-6-23(11-19)9-13-8-16(24)14-7-12(17(20)25)3-4-15(14)21-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,20,25)(H,21,24)/t19-/m1/s1
InChIKeyQVRRKXDXVWVDQS-LJQANCHMSA-N
XLogP1.04
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
CID 97131071
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
CID 56914079
2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
methyl (3aS,6aS)-5-[(6-carbamoyl-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163315875
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide;dihydrochloride
CID 154925023
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
(5S)-9-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95711524
methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
CID 56895309

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide (CID 97139058) is 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide is CN1C[C@@]2(CCCN(Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O.
What is the InChIKey of 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is QVRRKXDXVWVDQS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-10-19(27-18(22)26)5-2-6-23(11-19)9-13-8-16(24)14-7-12(17(20)25)3-4-15(14)21-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,20,25)(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97139058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).