1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

C21H30FNO — CID 143709260

IUPAC1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(CC2CCCCC2F)cc2c(n1CC1CCC1)CCCC2
InChIInChI=1S/C21H30FNO/c22-19-10-3-1-8-16(19)12-18-13-17-9-2-4-11-20(17)23(21(18)24)14-15-6-5-7-15/h13,15-16,19H,1-12,14H2
InChIKeyMJGDDNFHZCTSPQ-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.60
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 143709260) has the molecular formula C21H30FNO and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID143709260
Molecular FormulaC21H30FNO
Molecular Weight331.48 g/mol
Exact Mass331.23
IUPAC Name1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(CC2CCCCC2F)cc2c(n1CC1CCC1)CCCC2
InChIInChI=1S/C21H30FNO/c22-19-10-3-1-8-16(19)12-18-13-17-9-2-4-11-20(17)23(21(18)24)14-15-6-5-7-15/h13,15-16,19H,1-12,14H2
InChIKeyMJGDDNFHZCTSPQ-UHFFFAOYSA-N
XLogP4.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 143709260) is 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is O=c1c(CC2CCCCC2F)cc2c(n1CC1CCC1)CCCC2.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is MJGDDNFHZCTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO/c22-19-10-3-1-8-16(19)12-18-13-17-9-2-4-11-20(17)23(21(18)24)14-15-6-5-7-15/h13,15-16,19H,1-12,14H2.
What are the key properties of 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 331.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(2-fluorocyclohexyl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 143709260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).