6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one

C17H21NO — CID 146630373

IUPAC6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
SMILESCc1c(C(C)C)c(=O)n(C)c2ccc(C3CC3)cc12
InChIInChI=1S/C17H21NO/c1-10(2)16-11(3)14-9-13(12-5-6-12)7-8-15(14)18(4)17(16)19/h7-10,12H,5-6H2,1-4H3
InChIKeyLTNPSLKDAVGEBW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds2

About 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one

6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one (PubChem CID 146630373) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
PubChem CID146630373
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
SMILESCc1c(C(C)C)c(=O)n(C)c2ccc(C3CC3)cc12
InChIInChI=1S/C17H21NO/c1-10(2)16-11(3)14-9-13(12-5-6-12)7-8-15(14)18(4)17(16)19/h7-10,12H,5-6H2,1-4H3
InChIKeyLTNPSLKDAVGEBW-UHFFFAOYSA-N
XLogP3.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
CID 170587525
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
CID 142594476
5-cyclopropyl-3-iodo-1-methylindazole
CID 118990677
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 535444
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
6-bromo-3-iodo-1,4-dimethylquinolin-2-one
CID 146585096
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The IUPAC name of 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one (CID 146630373) is 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one.
What is the SMILES notation for 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The canonical SMILES for 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one is Cc1c(C(C)C)c(=O)n(C)c2ccc(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
The InChIKey is LTNPSLKDAVGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-10(2)16-11(3)14-9-13(12-5-6-12)7-8-15(14)18(4)17(16)19/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one?
6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one is sourced from PubChem (CID 146630373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).