(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C15H19NO2 — CID 116707061

IUPAC(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOC1(C(=O)C2CCCc3cccnc32)CCC1
InChIInChI=1S/C15H19NO2/c1-18-15(8-4-9-15)14(17)12-7-2-5-11-6-3-10-16-13(11)12/h3,6,10,12H,2,4-5,7-9H2,1H3
InChIKeyMGDNLRWFOMQELV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds3

About (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 116707061) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID116707061
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOC1(C(=O)C2CCCc3cccnc32)CCC1
InChIInChI=1S/C15H19NO2/c1-18-15(8-4-9-15)14(17)12-7-2-5-11-6-3-10-16-13(11)12/h3,6,10,12H,2,4-5,7-9H2,1H3
InChIKeyMGDNLRWFOMQELV-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

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Related Compounds

3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 106982195
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116600320
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 102950203
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 116707061) is (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is COC1(C(=O)C2CCCc3cccnc32)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is MGDNLRWFOMQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15(8-4-9-15)14(17)12-7-2-5-11-6-3-10-16-13(11)12/h3,6,10,12H,2,4-5,7-9H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 116707061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).