4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid

C22H25NO4 — CID 127024810

IUPAC4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid
SMILESCOc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1C)N(C)CCC2(C)C
InChIInChI=1S/C22H25NO4/c1-13-18-17(22(2,3)10-11-23(18)4)12-16(20(13)27-5)19(24)14-6-8-15(9-7-14)21(25)26/h6-9,12H,10-11H2,1-5H3,(H,25,26)
InChIKeyLRGNSLYOTPKOBO-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.05
Rot. Bonds4

About 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid

4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid (PubChem CID 127024810) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid
PubChem CID127024810
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid
SMILESCOc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1C)N(C)CCC2(C)C
InChIInChI=1S/C22H25NO4/c1-13-18-17(22(2,3)10-11-23(18)4)12-16(20(13)27-5)19(24)14-6-8-15(9-7-14)21(25)26/h6-9,12H,10-11H2,1-5H3,(H,25,26)
InChIKeyLRGNSLYOTPKOBO-UHFFFAOYSA-N
XLogP4.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid?
The IUPAC name of 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid (CID 127024810) is 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid.
What is the SMILES notation for 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid?
The canonical SMILES for 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid is COc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1C)N(C)CCC2(C)C.
What is the InChIKey of 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid?
The InChIKey is LRGNSLYOTPKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-18-17(22(2,3)10-11-23(18)4)12-16(20(13)27-5)19(24)14-6-8-15(9-7-14)21(25)26/h6-9,12H,10-11H2,1-5H3,(H,25,26).
What are the key properties of 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid?
4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid has a molecular weight of 367.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1,4,4,8-tetramethyl-2,3-dihydroquinoline-6-carbonyl)benzoic acid is sourced from PubChem (CID 127024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).