(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone

C18H21NO2 — CID 97002316

IUPAC(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1occc1C(=O)N1c2ccccc2CC[C@H]1C(C)C
InChIInChI=1S/C18H21NO2/c1-12(2)16-9-8-14-6-4-5-7-17(14)19(16)18(20)15-10-11-21-13(15)3/h4-7,10-12,16H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyWPOWUUMCGPGDFP-INIZCTEOSA-N
MW283.37 g/mol
LogP4.21
Rot. Bonds2

About (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone

(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 97002316) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID97002316
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1occc1C(=O)N1c2ccccc2CC[C@H]1C(C)C
InChIInChI=1S/C18H21NO2/c1-12(2)16-9-8-14-6-4-5-7-17(14)19(16)18(20)15-10-11-21-13(15)3/h4-7,10-12,16H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyWPOWUUMCGPGDFP-INIZCTEOSA-N
XLogP4.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 97013377
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
(2-methylfuran-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64852371
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019688
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
CID 136522965

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 97002316) is (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1occc1C(=O)N1c2ccccc2CC[C@H]1C(C)C.
What is the InChIKey of (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is WPOWUUMCGPGDFP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)16-9-8-14-6-4-5-7-17(14)19(16)18(20)15-10-11-21-13(15)3/h4-7,10-12,16H,8-9H2,1-3H3/t16-/m0/s1.
What are the key properties of (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 283.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 97002316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).