(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate

C16H17NO4 — CID 946744

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate
SMILESCc1cccc2cc(COC(=O)[C@H]3CCCO3)c(=O)[nH]c12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyOIGUSYVQYLDHDD-CYBMUJFWSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate (PubChem CID 946744) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate
PubChem CID946744
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate
SMILESCc1cccc2cc(COC(=O)[C@H]3CCCO3)c(=O)[nH]c12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyOIGUSYVQYLDHDD-CYBMUJFWSA-N
XLogP2.06
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3725789
(2R)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
CID 7141027
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1445627
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate
CID 1400207
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1138180
3-(4-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3194371
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1157151
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
3-[(2R)-butan-2-yl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1166173

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate (CID 946744) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate is Cc1cccc2cc(COC(=O)[C@H]3CCCO3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate?
The InChIKey is OIGUSYVQYLDHDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 946744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).