2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

C24H24N2O3 — CID 11545544

IUPAC2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CC(C(=O)N1CCCc3ccccc31)CC2
InChIInChI=1S/C24H24N2O3/c27-23(28)15-26-21-10-4-2-8-18(21)19-14-17(11-12-22(19)26)24(29)25-13-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,27,28)
InChIKeyWPHHWFGRQREMNM-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.81
Rot. Bonds3

About 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (PubChem CID 11545544) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
PubChem CID11545544
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CC(C(=O)N1CCCc3ccccc31)CC2
InChIInChI=1S/C24H24N2O3/c27-23(28)15-26-21-10-4-2-8-18(21)19-14-17(11-12-22(19)26)24(29)25-13-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,27,28)
InChIKeyWPHHWFGRQREMNM-UHFFFAOYSA-N
XLogP3.81
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-dihydroindole-1-carbonyl)-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358726
2-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358399
2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 11696297
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
2-[3-[methyl-[2-(trifluoromethyl)phenyl]carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 11568167
2-[(3R)-3-benzamido-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812101
2-(1,2,3,3a,4,10-hexahydroindolizino[6,7-b]indol-9-yl)acetic acid
CID 58449984
2-[3-[benzyl-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 11613307
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 90725768
2-[3-(naphthalen-1-ylcarbamoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812409
2-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358490
(E)-but-2-enedioic acid;3,4-dihydro-2H-quinolin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 18985205

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (CID 11545544) is 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is O=C(O)Cn1c2c(c3ccccc31)CC(C(=O)N1CCCc3ccccc31)CC2.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The InChIKey is WPHHWFGRQREMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(28)15-26-21-10-4-2-8-18(21)19-14-17(11-12-22(19)26)24(29)25-13-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,27,28).
What are the key properties of 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid has a molecular weight of 388.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is sourced from PubChem (CID 11545544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).