2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline

C32H22N6 — CID 74765948

IUPAC2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline
SMILESc1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12.c1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12
InChIInChI=1S/2C16H11N3/c2*1-2-12-3-4-13-10-14(11-5-8-17-9-6-11)19-16(13)15(12)18-7-1/h2*1-10,19H
InChIKeyRGYLUPIESBULTQ-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.56
Rot. Bonds2

About 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline

2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline (PubChem CID 74765948) has the molecular formula C32H22N6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline
PubChem CID74765948
Molecular FormulaC32H22N6
Molecular Weight490.57 g/mol
Exact Mass490.19
IUPAC Name2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline
SMILESc1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12.c1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12
InChIInChI=1S/2C16H11N3/c2*1-2-12-3-4-13-10-14(11-5-8-17-9-6-11)19-16(13)15(12)18-7-1/h2*1-10,19H
InChIKeyRGYLUPIESBULTQ-UHFFFAOYSA-N
XLogP7.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline (CID 74765948) is 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline is c1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12.c1cnc2c(c1)ccc1cc(-c3ccncc3)[nH]c12.
What is the InChIKey of 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline?
The InChIKey is RGYLUPIESBULTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11N3/c2*1-2-12-3-4-13-10-14(11-5-8-17-9-6-11)19-16(13)15(12)18-7-1/h2*1-10,19H.
What are the key properties of 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline?
2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline has a molecular weight of 490.57 g/mol, XLogP of 7.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 74765948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).