7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol

C20H34N2O2 — CID 59090172

IUPAC7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol
SMILESCc1cc2c(cc1N)C(C)CC(C)(C)N2CCCCCC(O)CO
InChIInChI=1S/C20H34N2O2/c1-14-10-19-17(11-18(14)21)15(2)12-20(3,4)22(19)9-7-5-6-8-16(24)13-23/h10-11,15-16,23-24H,5-9,12-13,21H2,1-4H3
InChIKeyAOKVJDRPTYEEHH-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.58
Rot. Bonds7

About 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol

7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol (PubChem CID 59090172) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol.

Molecular Properties

Compound Name7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol
PubChem CID59090172
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol
SMILESCc1cc2c(cc1N)C(C)CC(C)(C)N2CCCCCC(O)CO
InChIInChI=1S/C20H34N2O2/c1-14-10-19-17(11-18(14)21)15(2)12-20(3,4)22(19)9-7-5-6-8-16(24)13-23/h10-11,15-16,23-24H,5-9,12-13,21H2,1-4H3
InChIKeyAOKVJDRPTYEEHH-UHFFFAOYSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
CID 59079307
1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125047281
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133198872
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
[1-acetyloxy-3-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)propyl] acetate
CID 57307043
[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate
CID 59109651
(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044341
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
(5Z)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862557

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol?
The IUPAC name of 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol (CID 59090172) is 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol.
What is the SMILES notation for 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol?
The canonical SMILES for 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol is Cc1cc2c(cc1N)C(C)CC(C)(C)N2CCCCCC(O)CO.
What is the InChIKey of 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol?
The InChIKey is AOKVJDRPTYEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-14-10-19-17(11-18(14)21)15(2)12-20(3,4)22(19)9-7-5-6-8-16(24)13-23/h10-11,15-16,23-24H,5-9,12-13,21H2,1-4H3.
What are the key properties of 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol?
7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol has a molecular weight of 334.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)heptane-1,2-diol is sourced from PubChem (CID 59090172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).