1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one

C16H24N2O — CID 118745052

IUPAC1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C16H24N2O/c1-11(2)17-14-6-7-15-13(9-14)5-8-16(19)18(15)10-12-3-4-12/h5,8,11-12,14,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyNBSGBLBOSLKBER-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.11
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118745052) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118745052
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C16H24N2O/c1-11(2)17-14-6-7-15-13(9-14)5-8-16(19)18(15)10-12-3-4-12/h5,8,11-12,14,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyNBSGBLBOSLKBER-UHFFFAOYSA-N
XLogP2.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 118745052) is 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)NC1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is NBSGBLBOSLKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)17-14-6-7-15-13(9-14)5-8-16(19)18(15)10-12-3-4-12/h5,8,11-12,14,17H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118745052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).