(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C19H20FN3O3 — CID 95716535

IUPAC(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2ccc(F)cc2n1
InChIInChI=1S/C19H20FN3O3/c1-12-8-15(14-5-4-13(20)9-16(14)21-12)17(24)23-7-3-6-19(11-23)10-22(2)18(25)26-19/h4-5,8-9H,3,6-7,10-11H2,1-2H3/t19-/m1/s1
InChIKeyNELMKMHJALDNHP-LJQANCHMSA-N
MW357.39 g/mol
LogP2.74
Rot. Bonds1

About (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95716535) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95716535
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2ccc(F)cc2n1
InChIInChI=1S/C19H20FN3O3/c1-12-8-15(14-5-4-13(20)9-16(14)21-12)17(24)23-7-3-6-19(11-23)10-22(2)18(25)26-19/h4-5,8-9H,3,6-7,10-11H2,1-2H3/t19-/m1/s1
InChIKeyNELMKMHJALDNHP-LJQANCHMSA-N
XLogP2.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95716535) is (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2ccc(F)cc2n1.
What is the InChIKey of (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NELMKMHJALDNHP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-8-15(14-5-4-13(20)9-16(14)21-12)17(24)23-7-3-6-19(11-23)10-22(2)18(25)26-19/h4-5,8-9H,3,6-7,10-11H2,1-2H3/t19-/m1/s1.
What are the key properties of (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 357.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95716535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).