2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline

C21H34N2O — CID 59079307

IUPAC2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
SMILESCCCCCCCCN1c2cc(C)c(N=O)cc2C(C)CC1(C)C
InChIInChI=1S/C21H34N2O/c1-6-7-8-9-10-11-12-23-20-13-16(2)19(22-24)14-18(20)17(3)15-21(23,4)5/h13-14,17H,6-12,15H2,1-5H3
InChIKeyCNQCOGPEPWTXOI-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.85
Rot. Bonds8

About 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline

2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline (PubChem CID 59079307) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
PubChem CID59079307
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
SMILESCCCCCCCCN1c2cc(C)c(N=O)cc2C(C)CC1(C)C
InChIInChI=1S/C21H34N2O/c1-6-7-8-9-10-11-12-23-20-13-16(2)19(22-24)14-18(20)17(3)15-21(23,4)5/h13-14,17H,6-12,15H2,1-5H3
InChIKeyCNQCOGPEPWTXOI-UHFFFAOYSA-N
XLogP6.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125047281
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate
CID 59109651
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862689
3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
CID 50862606
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203032
N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860611
3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862678
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133198872
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
N-(1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-2-(4-chlorophenyl)-3,3-dicyanoprop-2-enimidoyl cyanide;2-(4-chlorophenyl)-3,3-dicyano-N-[4-(diethylamino)-2-methylphenyl]prop-2-enimidoyl cyanide
CID 158431492

Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline?
The IUPAC name of 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline (CID 59079307) is 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline.
What is the SMILES notation for 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline?
The canonical SMILES for 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline is CCCCCCCCN1c2cc(C)c(N=O)cc2C(C)CC1(C)C.
What is the InChIKey of 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline?
The InChIKey is CNQCOGPEPWTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-6-7-8-9-10-11-12-23-20-13-16(2)19(22-24)14-18(20)17(3)15-21(23,4)5/h13-14,17H,6-12,15H2,1-5H3.
What are the key properties of 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline?
2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline has a molecular weight of 330.52 g/mol, XLogP of 6.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline is sourced from PubChem (CID 59079307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).