(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone

C20H22N2O2 — CID 5044106

IUPAC(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2o1
InChIInChI=1S/C20H22N2O2/c1-3-16-6-4-5-9-22(16)20(23)18-12-15-11-14-8-7-13(2)10-17(14)21-19(15)24-18/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyUBNGXMQPGLCIKQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.69
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone

(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 5044106) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID5044106
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2o1
InChIInChI=1S/C20H22N2O2/c1-3-16-6-4-5-9-22(16)20(23)18-12-15-11-14-8-7-13(2)10-17(14)21-19(15)24-18/h7-8,10-12,16H,3-6,9H2,1-2H3
InChIKeyUBNGXMQPGLCIKQ-UHFFFAOYSA-N
XLogP4.69
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
CID 3235923
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
CID 112531904
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
(2-ethylpiperidin-1-yl)-[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanone
CID 110383835
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
5-(2-ethylazepane-1-carbonyl)-2-methylfuran-3-sulfonyl chloride
CID 104692762

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone (CID 5044106) is (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone is CCC1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2o1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is UBNGXMQPGLCIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-16-6-4-5-9-22(16)20(23)18-12-15-11-14-8-7-13(2)10-17(14)21-19(15)24-18/h7-8,10-12,16H,3-6,9H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
(2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 5044106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).