1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone

C20H13N3O — CID 52952102

IUPAC1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)c1nc2ccccc2c2cc[nH]c12
InChIInChI=1S/C20H13N3O/c24-20(15-11-22-16-7-3-1-6-13(15)16)19-18-14(9-10-21-18)12-5-2-4-8-17(12)23-19/h1-11,21-22H
InChIKeyLLIFNBFVMVAQMZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.43
Rot. Bonds2

About 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone

1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone (PubChem CID 52952102) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone
PubChem CID52952102
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)c1nc2ccccc2c2cc[nH]c12
InChIInChI=1S/C20H13N3O/c24-20(15-11-22-16-7-3-1-6-13(15)16)19-18-14(9-10-21-18)12-5-2-4-8-17(12)23-19/h1-11,21-22H
InChIKeyLLIFNBFVMVAQMZ-UHFFFAOYSA-N
XLogP4.43
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone?
The IUPAC name of 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone (CID 52952102) is 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone is O=C(c1c[nH]c2ccccc12)c1nc2ccccc2c2cc[nH]c12.
What is the InChIKey of 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone?
The InChIKey is LLIFNBFVMVAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c24-20(15-11-22-16-7-3-1-6-13(15)16)19-18-14(9-10-21-18)12-5-2-4-8-17(12)23-19/h1-11,21-22H.
What are the key properties of 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone?
1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone has a molecular weight of 311.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone is sourced from PubChem (CID 52952102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).