4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline

C20H15N3 — CID 71531040

IUPAC4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline
SMILESc1ccc2c(c1)ccn2Cc1nc2ccccc2c2cc[nH]c12
InChIInChI=1S/C20H15N3/c1-4-8-19-14(5-1)10-12-23(19)13-18-20-16(9-11-21-20)15-6-2-3-7-17(15)22-18/h1-12,21H,13H2
InChIKeyAUUYJZSXXPQBGC-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.72
Rot. Bonds2

About 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline

4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline (PubChem CID 71531040) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline
PubChem CID71531040
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline
SMILESc1ccc2c(c1)ccn2Cc1nc2ccccc2c2cc[nH]c12
InChIInChI=1S/C20H15N3/c1-4-8-19-14(5-1)10-12-23(19)13-18-20-16(9-11-21-20)15-6-2-3-7-17(15)22-18/h1-12,21H,13H2
InChIKeyAUUYJZSXXPQBGC-UHFFFAOYSA-N
XLogP4.72
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline?
The IUPAC name of 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline (CID 71531040) is 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline is c1ccc2c(c1)ccn2Cc1nc2ccccc2c2cc[nH]c12.
What is the InChIKey of 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline?
The InChIKey is AUUYJZSXXPQBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-4-8-19-14(5-1)10-12-23(19)13-18-20-16(9-11-21-20)15-6-2-3-7-17(15)22-18/h1-12,21H,13H2.
What are the key properties of 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline?
4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline has a molecular weight of 297.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-1-ylmethyl)-3H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 71531040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).