1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone

C23H20N4O2 — CID 29087971

IUPAC1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cnn(CCO)c2)nc2ccccc12)N1Cc2ccccc2C1
InChIInChI=1S/C23H20N4O2/c28-10-9-27-15-18(12-24-27)22-11-20(19-7-3-4-8-21(19)25-22)23(29)26-13-16-5-1-2-6-17(16)14-26/h1-8,11-12,15,28H,9-10,13-14H2
InChIKeyBVZVFXFERYGTAC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.25
Rot. Bonds4

About 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone

1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone (PubChem CID 29087971) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
PubChem CID29087971
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cnn(CCO)c2)nc2ccccc12)N1Cc2ccccc2C1
InChIInChI=1S/C23H20N4O2/c28-10-9-27-15-18(12-24-27)22-11-20(19-7-3-4-8-21(19)25-22)23(29)26-13-16-5-1-2-6-17(16)14-26/h1-8,11-12,15,28H,9-10,13-14H2
InChIKeyBVZVFXFERYGTAC-UHFFFAOYSA-N
XLogP3.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 31015660
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
CID 29024640
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone (CID 29087971) is 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone is O=C(c1cc(-c2cnn(CCO)c2)nc2ccccc12)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The InChIKey is BVZVFXFERYGTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-10-9-27-15-18(12-24-27)22-11-20(19-7-3-4-8-21(19)25-22)23(29)26-13-16-5-1-2-6-17(16)14-26/h1-8,11-12,15,28H,9-10,13-14H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone has a molecular weight of 384.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone is sourced from PubChem (CID 29087971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).