7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane

C23H27NO — CID 145469769

IUPAC7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane
SMILESC.Cc1cc2ccc(C(C)(C)[C@@H]3CCc4ccccc43)cc2[nH]c1=O
InChIInChI=1S/C22H23NO.CH4/c1-14-12-16-8-10-17(13-20(16)23-21(14)24)22(2,3)19-11-9-15-6-4-5-7-18(15)19;/h4-8,10,12-13,19H,9,11H2,1-3H3,(H,23,24);1H4/t19-;/m1./s1
InChIKeyGPSKBOIAFHGMHF-FSRHSHDFSA-N
MW333.48 g/mol
LogP5.48
Rot. Bonds2

About 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane

7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane (PubChem CID 145469769) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane.

Molecular Properties

Compound Name7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane
PubChem CID145469769
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane
SMILESC.Cc1cc2ccc(C(C)(C)[C@@H]3CCc4ccccc43)cc2[nH]c1=O
InChIInChI=1S/C22H23NO.CH4/c1-14-12-16-8-10-17(13-20(16)23-21(14)24)22(2,3)19-11-9-15-6-4-5-7-18(15)19;/h4-8,10,12-13,19H,9,11H2,1-3H3,(H,23,24);1H4/t19-;/m1./s1
InChIKeyGPSKBOIAFHGMHF-FSRHSHDFSA-N
XLogP5.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane with MolForge

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Related Compounds

3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 59393176
2-methyl-3-(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-2-(3-methyl-2-oxo-1H-quinolin-7-yl)propanenitrile;molecular hydrogen
CID 145469772
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
3-methyl-1H-benzo[g]quinolin-2-one
CID 18347999
1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 169144923
3-(3-iodophenyl)-2-methyl-2-(3-methyl-2-oxo-1H-quinolin-7-yl)propanenitrile
CID 59393447
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile
CID 145469722
1-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;(1S)-1-methyl-2,3-dihydro-1H-indene;bis((1R)-1-methyl-2,3-dihydro-1H-indene)
CID 159713466
1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 173407939
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile
CID 59393360
1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene
CID 159886761

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane?
The IUPAC name of 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane (CID 145469769) is 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane.
What is the SMILES notation for 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane?
The canonical SMILES for 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane is C.Cc1cc2ccc(C(C)(C)[C@@H]3CCc4ccccc43)cc2[nH]c1=O.
What is the InChIKey of 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane?
The InChIKey is GPSKBOIAFHGMHF-FSRHSHDFSA-N. The full InChI is InChI=1S/C22H23NO.CH4/c1-14-12-16-8-10-17(13-20(16)23-21(14)24)22(2,3)19-11-9-15-6-4-5-7-18(15)19;/h4-8,10,12-13,19H,9,11H2,1-3H3,(H,23,24);1H4/t19-;/m1./s1.
What are the key properties of 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane?
7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane has a molecular weight of 333.48 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]propan-2-yl]-3-methyl-1H-quinolin-2-one;methane is sourced from PubChem (CID 145469769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).