(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C23H26NO2+ — CID 9260409

IUPAC(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCc1ccc2c(C[NH+](C)[C@H]3CCCc4ccccc43)cc(=O)oc2c1C
InChIInChI=1S/C23H25NO2/c1-15-11-12-20-18(13-22(25)26-23(20)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/p+1/t21-/m0/s1
InChIKeyGBYUXUQGCBDOGN-NRFANRHFSA-O
MW348.47 g/mol
LogP3.50
Rot. Bonds3

About (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 9260409) has the molecular formula C23H26NO2+ and a molecular weight of 348.47 g/mol. Its IUPAC name is (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID9260409
Molecular FormulaC23H26NO2+
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCc1ccc2c(C[NH+](C)[C@H]3CCCc4ccccc43)cc(=O)oc2c1C
InChIInChI=1S/C23H25NO2/c1-15-11-12-20-18(13-22(25)26-23(20)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/p+1/t21-/m0/s1
InChIKeyGBYUXUQGCBDOGN-NRFANRHFSA-O
XLogP3.50
TPSA34.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
CID 9260416
(7,8-dimethyl-2-oxochromen-4-yl)methyl-bis(furan-2-ylmethyl)azanium
CID 8841537
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
6-ethyl-10-methyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one
CID 7732356
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
3'-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112774148
(1-benzylpiperidin-1-ium-4-yl)-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]azanium
CID 9256336
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302633
(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium
CID 2689355
7,8-dimethyl-4-[(2-phenylethylamino)methyl]chromen-2-one
CID 7492362
7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
CID 75482323
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 9260409) is (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is Cc1ccc2c(C[NH+](C)[C@H]3CCCc4ccccc43)cc(=O)oc2c1C.
What is the InChIKey of (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is GBYUXUQGCBDOGN-NRFANRHFSA-O. The full InChI is InChI=1S/C23H25NO2/c1-15-11-12-20-18(13-22(25)26-23(20)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/p+1/t21-/m0/s1.
What are the key properties of (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 348.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 9260409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).