[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C23H24N2O — CID 2965693

IUPAC[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O/c1-2-7-17-10-12-18(13-11-17)22-16-20(23(26)25-14-5-6-15-25)19-8-3-4-9-21(19)24-22/h3-4,8-13,16H,2,5-7,14-15H2,1H3
InChIKeySQMZFJICMYAOKJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.09
Rot. Bonds4

About [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2965693) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID2965693
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O/c1-2-7-17-10-12-18(13-11-17)22-16-20(23(26)25-14-5-6-15-25)19-8-3-4-9-21(19)24-22/h3-4,8-13,16H,2,5-7,14-15H2,1H3
InChIKeySQMZFJICMYAOKJ-UHFFFAOYSA-N
XLogP5.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 10179324
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
1-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;oxane;2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid
CID 157235654
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462

Frequently Asked Questions

What is the IUPAC name of [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 2965693) is [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is CCCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SQMZFJICMYAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-7-17-10-12-18(13-11-17)22-16-20(23(26)25-14-5-6-15-25)19-8-3-4-9-21(19)24-22/h3-4,8-13,16H,2,5-7,14-15H2,1H3.
What are the key properties of [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2965693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).