4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid

C28H29NO2 — CID 10341568

IUPAC4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)ccnc1-3
InChIInChI=1S/C28H29NO2/c1-27(2)12-13-28(3,4)24-16-22-19(15-23(24)27)9-10-21-20(11-14-29-25(21)22)17-5-7-18(8-6-17)26(30)31/h5-8,11,14-16H,9-10,12-13H2,1-4H3,(H,30,31)
InChIKeyWXGNIVSLYMZMSJ-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.56
Rot. Bonds2

About 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid

4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid (PubChem CID 10341568) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid
PubChem CID10341568
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)ccnc1-3
InChIInChI=1S/C28H29NO2/c1-27(2)12-13-28(3,4)24-16-22-19(15-23(24)27)9-10-21-20(11-14-29-25(21)22)17-5-7-18(8-6-17)26(30)31/h5-8,11,14-16H,9-10,12-13H2,1-4H3,(H,30,31)
InChIKeyWXGNIVSLYMZMSJ-UHFFFAOYSA-N
XLogP6.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid?
The IUPAC name of 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid (CID 10341568) is 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid.
What is the SMILES notation for 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid?
The canonical SMILES for 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid is CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)ccnc1-3.
What is the InChIKey of 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid?
The InChIKey is WXGNIVSLYMZMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-27(2)12-13-28(3,4)24-16-22-19(15-23(24)27)9-10-21-20(11-14-29-25(21)22)17-5-7-18(8-6-17)26(30)31/h5-8,11,14-16H,9-10,12-13H2,1-4H3,(H,30,31).
What are the key properties of 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid?
4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid has a molecular weight of 411.55 g/mol, XLogP of 6.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8,11,11-tetramethyl-5,6,9,10-tetrahydronaphtho[2,3-h]quinolin-4-yl)benzoic acid is sourced from PubChem (CID 10341568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).