methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate

C16H13NO4 — CID 155923351

IUPACmethyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate
SMILESCOC(=O)C(=O)CC1=Cc2cc3cccnc3cc2OC1
InChIInChI=1S/C16H13NO4/c1-20-16(19)14(18)6-10-5-12-7-11-3-2-4-17-13(11)8-15(12)21-9-10/h2-5,7-8H,6,9H2,1H3
InChIKeyIVJINFATNGITGK-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate

methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate (PubChem CID 155923351) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate
PubChem CID155923351
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate
SMILESCOC(=O)C(=O)CC1=Cc2cc3cccnc3cc2OC1
InChIInChI=1S/C16H13NO4/c1-20-16(19)14(18)6-10-5-12-7-11-3-2-4-17-13(11)8-15(12)21-9-10/h2-5,7-8H,6,9H2,1H3
InChIKeyIVJINFATNGITGK-UHFFFAOYSA-N
XLogP2.14
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate
CID 151833443
2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene
CID 175897219
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
6-methoxyquinoline-7-carboxylic acid
CID 131314399
(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine
CID 175710279
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
ethane;quinoline-6-carboxylic acid
CID 91364452
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate?
The IUPAC name of methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate (CID 155923351) is methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate.
What is the SMILES notation for methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate?
The canonical SMILES for methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate is COC(=O)C(=O)CC1=Cc2cc3cccnc3cc2OC1.
What is the InChIKey of methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate?
The InChIKey is IVJINFATNGITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-16(19)14(18)6-10-5-12-7-11-3-2-4-17-13(11)8-15(12)21-9-10/h2-5,7-8H,6,9H2,1H3.
What are the key properties of methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate?
methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate has a molecular weight of 283.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate is sourced from PubChem (CID 155923351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).