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

C23H20N4O — CID 46990998

IUPAC1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3Cc4ccccc4C3)c3ccccc3n2)cn1
InChIInChI=1S/C23H20N4O/c1-2-27-15-18(12-24-27)22-11-20(19-9-5-6-10-21(19)25-22)23(28)26-13-16-7-3-4-8-17(16)14-26/h3-12,15H,2,13-14H2,1H3
InChIKeyHBBIWMUSICZGRL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.27
Rot. Bonds3

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

1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 46990998) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID46990998
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3Cc4ccccc4C3)c3ccccc3n2)cn1
InChIInChI=1S/C23H20N4O/c1-2-27-15-18(12-24-27)22-11-20(19-9-5-6-10-21(19)25-22)23(28)26-13-16-7-3-4-8-17(16)14-26/h3-12,15H,2,13-14H2,1H3
InChIKeyHBBIWMUSICZGRL-UHFFFAOYSA-N
XLogP4.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 29087971
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 31015660
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
(4aR,8aR)-1-[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 51392196
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
CID 46957598
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 95047048

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone (CID 46990998) is 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone is CCn1cc(-c2cc(C(=O)N3Cc4ccccc4C3)c3ccccc3n2)cn1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is HBBIWMUSICZGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-27-15-18(12-24-27)22-11-20(19-9-5-6-10-21(19)25-22)23(28)26-13-16-7-3-4-8-17(16)14-26/h3-12,15H,2,13-14H2,1H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone?
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 46990998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).