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

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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).