6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one

C23H25NO2 — CID 9260416

IUPAC6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN(C)[C@H]3CCCc4ccccc43)c2cc1C
InChIInChI=1S/C23H25NO2/c1-15-11-20-18(13-23(25)26-22(20)12-16(15)2)14-24(3)21-10-6-8-17-7-4-5-9-19(17)21/h4-5,7,9,11-13,21H,6,8,10,14H2,1-3H3/t21-/m0/s1
InChIKeyCJIWPGFHMAPSDC-NRFANRHFSA-N
MW347.46 g/mol
LogP4.92
Rot. Bonds3

About 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one

6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one (PubChem CID 9260416) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
PubChem CID9260416
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN(C)[C@H]3CCCc4ccccc43)c2cc1C
InChIInChI=1S/C23H25NO2/c1-15-11-20-18(13-23(25)26-22(20)12-16(15)2)14-24(3)21-10-6-8-17-7-4-5-9-19(17)21/h4-5,7,9,11-13,21H,6,8,10,14H2,1-3H3/t21-/m0/s1
InChIKeyCJIWPGFHMAPSDC-NRFANRHFSA-N
XLogP4.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 109397687
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 35203798
4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 27247141
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 9251054
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260409
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethylchromen-2-one
CID 34941219
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 39973149
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one?
The IUPAC name of 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one (CID 9260416) is 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one?
The canonical SMILES for 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one is Cc1cc2oc(=O)cc(CN(C)[C@H]3CCCc4ccccc43)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one?
The InChIKey is CJIWPGFHMAPSDC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25NO2/c1-15-11-20-18(13-23(25)26-22(20)12-16(15)2)14-24(3)21-10-6-8-17-7-4-5-9-19(17)21/h4-5,7,9,11-13,21H,6,8,10,14H2,1-3H3/t21-/m0/s1.
What are the key properties of 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one?
6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one is sourced from PubChem (CID 9260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).