(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H25N3O3 — CID 95880781

IUPAC(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC[C@@]4(C3)CN(C)C(=O)O4)cc2c1
InChIInChI=1S/C20H25N3O3/c1-13-7-14(2)17-15(8-13)9-16(18(24)21-17)10-23-6-4-5-20(12-23)11-22(3)19(25)26-20/h7-9H,4-6,10-12H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyPXKYFNYNFSNXOU-FQEVSTJZSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds2

About (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95880781) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95880781
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC[C@@]4(C3)CN(C)C(=O)O4)cc2c1
InChIInChI=1S/C20H25N3O3/c1-13-7-14(2)17-15(8-13)9-16(18(24)21-17)10-23-6-4-5-20(12-23)11-22(3)19(25)26-20/h7-9H,4-6,10-12H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyPXKYFNYNFSNXOU-FQEVSTJZSA-N
XLogP2.56
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95880781) is (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@@]4(C3)CN(C)C(=O)O4)cc2c1.
What is the InChIKey of (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PXKYFNYNFSNXOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-7-14(2)17-15(8-13)9-16(18(24)21-17)10-23-6-4-5-20(12-23)11-22(3)19(25)26-20/h7-9H,4-6,10-12H2,1-3H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95880781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).