2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid

C26H26N2O3 — CID 19935715

IUPAC2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
SMILESCCC1(CC(=O)O)CCCc2c1[nH]c1ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C26H26N2O3/c1-2-26(15-24(29)30)13-5-7-20-21-14-19(11-12-23(21)28-25(20)26)31-16-18-10-9-17-6-3-4-8-22(17)27-18/h3-4,6,8-12,14,28H,2,5,7,13,15-16H2,1H3,(H,29,30)
InChIKeyXCXYVDRGSVSCDU-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.75
Rot. Bonds6

About 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid

2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid (PubChem CID 19935715) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
PubChem CID19935715
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
SMILESCCC1(CC(=O)O)CCCc2c1[nH]c1ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C26H26N2O3/c1-2-26(15-24(29)30)13-5-7-20-21-14-19(11-12-23(21)28-25(20)26)31-16-18-10-9-17-6-3-4-8-22(17)27-18/h3-4,6,8-12,14,28H,2,5,7,13,15-16H2,1H3,(H,29,30)
InChIKeyXCXYVDRGSVSCDU-UHFFFAOYSA-N
XLogP5.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid with MolForge

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Related Compounds

methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoic acid
CID 67279206
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The IUPAC name of 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid (CID 19935715) is 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The canonical SMILES for 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid is CCC1(CC(=O)O)CCCc2c1[nH]c1ccc(OCc3ccc4ccccc4n3)cc21.
What is the InChIKey of 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The InChIKey is XCXYVDRGSVSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-2-26(15-24(29)30)13-5-7-20-21-14-19(11-12-23(21)28-25(20)26)31-16-18-10-9-17-6-3-4-8-22(17)27-18/h3-4,6,8-12,14,28H,2,5,7,13,15-16H2,1H3,(H,29,30).
What are the key properties of 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid has a molecular weight of 414.51 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid is sourced from PubChem (CID 19935715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).