5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H24N2O2 — CID 81107578

IUPAC5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)CC(CO)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H24N2O2/c1-10(2)8-11(9-18)16-13-4-3-5-14-12(13)6-7-15(19)17-14/h6-7,10-11,13,16,18H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyAOTHNFFGKJQTCB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds5

About 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107578) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107578
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)CC(CO)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H24N2O2/c1-10(2)8-11(9-18)16-13-4-3-5-14-12(13)6-7-15(19)17-14/h6-7,10-11,13,16,18H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyAOTHNFFGKJQTCB-UHFFFAOYSA-N
XLogP1.75
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107578) is 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)CC(CO)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is AOTHNFFGKJQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)8-11(9-18)16-13-4-3-5-14-12(13)6-7-15(19)17-14/h6-7,10-11,13,16,18H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).