1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile

C23H16N4O — CID 10316704

IUPAC1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(O)c2ccc(-n3cccn3)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C23H16N4O/c24-15-18-14-22(27-20-5-2-1-4-16(20)8-11-21(18)27)23(28)17-6-9-19(10-7-17)26-13-3-12-25-26/h1-14,23,28H
InChIKeyDVPPLLMQFZWJSE-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.23
Rot. Bonds3

About 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile

1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 10316704) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID10316704
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(O)c2ccc(-n3cccn3)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C23H16N4O/c24-15-18-14-22(27-20-5-2-1-4-16(20)8-11-21(18)27)23(28)17-6-9-19(10-7-17)26-13-3-12-25-26/h1-14,23,28H
InChIKeyDVPPLLMQFZWJSE-UHFFFAOYSA-N
XLogP4.23
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile (CID 10316704) is 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1cc(C(O)c2ccc(-n3cccn3)cc2)n2c1ccc1ccccc12.
What is the InChIKey of 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is DVPPLLMQFZWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-18-14-22(27-20-5-2-1-4-16(20)8-11-21(18)27)23(28)17-6-9-19(10-7-17)26-13-3-12-25-26/h1-14,23,28H.
What are the key properties of 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 10316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).