1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

C14H19NO — CID 174243733

IUPAC1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2cc(C(C)C)ccc2N(C)C1=O
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeyRCYXSGLUDMEDAH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 174243733) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID174243733
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2cc(C(C)C)ccc2N(C)C1=O
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeyRCYXSGLUDMEDAH-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (CID 174243733) is 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is CC1Cc2cc(C(C)C)ccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is RCYXSGLUDMEDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174243733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).