methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

C20H19NO4 — CID 42890375

IUPACmethyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C20H19NO4/c1-24-20(23)15-7-4-9-16-14(15)8-5-11-21(16)19(22)18-12-13-6-2-3-10-17(13)25-18/h2-4,6-7,9-10,18H,5,8,11-12H2,1H3
InChIKeyUOJNSGWIHAINGB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds2

About methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 42890375) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID42890375
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C20H19NO4/c1-24-20(23)15-7-4-9-16-14(15)8-5-11-21(16)19(22)18-12-13-6-2-3-10-17(13)25-18/h2-4,6-7,9-10,18H,5,8,11-12H2,1H3
InChIKeyUOJNSGWIHAINGB-UHFFFAOYSA-N
XLogP2.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate with MolForge

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47027785
2,3-dihydro-1-benzofuran-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521227
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 75466524
methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 97009904
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
methyl 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]benzoate
CID 131740216
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
2,3-dihydro-1-benzofuran-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 51229050
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
methyl 2-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-6-carboxylate
CID 143813730
methyl 1-[2-(4-iodophenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033526
(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 7464490

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (CID 42890375) is methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)C1Cc2ccccc2O1.
What is the InChIKey of methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is UOJNSGWIHAINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-20(23)15-7-4-9-16-14(15)8-5-11-21(16)19(22)18-12-13-6-2-3-10-17(13)25-18/h2-4,6-7,9-10,18H,5,8,11-12H2,1H3.
What are the key properties of methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 42890375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).