1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one

C24H36N2O — CID 68913192

IUPAC1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one
SMILESCCCCC1CC2CC[C@H](C1)N2CC(C)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C24H36N2O/c1-3-4-7-19-14-21-11-12-22(15-19)25(21)16-18(2)17-26-23-9-6-5-8-20(23)10-13-24(26)27/h5-6,8-9,18-19,21-22H,3-4,7,10-17H2,1-2H3/t18?,19?,21-,22?/m1/s1
InChIKeySGFQQSNKTBRUJC-QXXBNALYSA-N
MW368.57 g/mol
LogP5.04
Rot. Bonds7

About 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one

1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one (PubChem CID 68913192) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one
PubChem CID68913192
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one
SMILESCCCCC1CC2CC[C@H](C1)N2CC(C)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C24H36N2O/c1-3-4-7-19-14-21-11-12-22(15-19)25(21)16-18(2)17-26-23-9-6-5-8-20(23)10-13-24(26)27/h5-6,8-9,18-19,21-22H,3-4,7,10-17H2,1-2H3/t18?,19?,21-,22?/m1/s1
InChIKeySGFQQSNKTBRUJC-QXXBNALYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one (CID 68913192) is 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one is CCCCC1CC2CC[C@H](C1)N2CC(C)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SGFQQSNKTBRUJC-QXXBNALYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-4-7-19-14-21-11-12-22(15-19)25(21)16-18(2)17-26-23-9-6-5-8-20(23)10-13-24(26)27/h5-6,8-9,18-19,21-22H,3-4,7,10-17H2,1-2H3/t18?,19?,21-,22?/m1/s1.
What are the key properties of 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one?
1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 368.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68913192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).