6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid

C22H18N4O3 — CID 22314701

IUPAC6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)NCC4)CC3
InChIInChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-4,9-10,23-25H,5-8H2,(H,28,29)
InChIKeyQFARDMYKNBNSMU-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.52
Rot. Bonds2

About 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid

6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid (PubChem CID 22314701) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
PubChem CID22314701
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)NCC4)CC3
InChIInChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-4,9-10,23-25H,5-8H2,(H,28,29)
InChIKeyQFARDMYKNBNSMU-UHFFFAOYSA-N
XLogP3.52
TPSA101.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The IUPAC name of 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid (CID 22314701) is 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid.
What is the SMILES notation for 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The canonical SMILES for 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid is O=C(O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)NCC4)CC3.
What is the InChIKey of 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The InChIKey is QFARDMYKNBNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-4,9-10,23-25H,5-8H2,(H,28,29).
What are the key properties of 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid?
6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid is sourced from PubChem (CID 22314701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).