2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid

C17H25NO2 — CID 133202967

IUPAC2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C(C)C
InChIInChI=1S/C17H25NO2/c1-10(2)18-15-7-11(3)14(16(19)20)8-13(15)12(4)9-17(18,5)6/h7-8,10,12H,9H2,1-6H3,(H,19,20)
InChIKeyUCACQQPZTYZZLO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.19
Rot. Bonds2

About 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid

2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 133202967) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID133202967
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C(C)C
InChIInChI=1S/C17H25NO2/c1-10(2)18-15-7-11(3)14(16(19)20)8-13(15)12(4)9-17(18,5)6/h7-8,10,12H,9H2,1-6H3,(H,19,20)
InChIKeyUCACQQPZTYZZLO-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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)-3-methyl-2-[(4S)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044601
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2-bromo-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170652
4-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170674
2-chloro-4-methyl-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170688
N-(4-methylphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
CID 125043844
3,5-dibromo-2-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170676
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202977
(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 125046149

Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid (CID 133202967) is 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid is Cc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C(C)C.
What is the InChIKey of 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is UCACQQPZTYZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-10(2)18-15-7-11(3)14(16(19)20)8-13(15)12(4)9-17(18,5)6/h7-8,10,12H,9H2,1-6H3,(H,19,20).
What are the key properties of 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid?
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 133202967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).