1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one

C13H17NO — CID 134506749

IUPAC1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)c1cccc2c1CCC(=O)N2C
InChIInChI=1S/C13H17NO/c1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3/h4-6,9H,7-8H2,1-3H3
InChIKeyMBYRDUPOIHTLSV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.72
Rot. Bonds1

About 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one

1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 134506749) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID134506749
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)c1cccc2c1CCC(=O)N2C
InChIInChI=1S/C13H17NO/c1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3/h4-6,9H,7-8H2,1-3H3
InChIKeyMBYRDUPOIHTLSV-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one (CID 134506749) is 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one is CC(C)c1cccc2c1CCC(=O)N2C.
What is the InChIKey of 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is MBYRDUPOIHTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one?
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134506749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).