N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide

C22H21N3O2 — CID 50816149

IUPACN-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(26)23-17-10-8-16(9-11-17)21-14-19(22(27)25-12-4-5-13-25)18-6-2-3-7-20(18)24-21/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyZVAKAKQVPRJGMS-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.10
Rot. Bonds3

About N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide

N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide (PubChem CID 50816149) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
PubChem CID50816149
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(26)23-17-10-8-16(9-11-17)21-14-19(22(27)25-12-4-5-13-25)18-6-2-3-7-20(18)24-21/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyZVAKAKQVPRJGMS-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
CID 46375309
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
CID 92728412
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide (CID 50816149) is N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide?
The InChIKey is ZVAKAKQVPRJGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(26)23-17-10-8-16(9-11-17)21-14-19(22(27)25-12-4-5-13-25)18-6-2-3-7-20(18)24-21/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide?
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 50816149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).