2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C23H23N3O2 — CID 92636924

IUPAC2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C23H23N3O2/c24-23(28)19-14-21(25-20-9-5-4-8-18(19)20)17-12-13-26(15-17)22(27)11-10-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H2,24,28)/t17-/m0/s1
InChIKeyUCPMDVYZPBPVRE-KRWDZBQOSA-N
MW373.46 g/mol
LogP3.28
Rot. Bonds5

About 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide

2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92636924) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92636924
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C23H23N3O2/c24-23(28)19-14-21(25-20-9-5-4-8-18(19)20)17-12-13-26(15-17)22(27)11-10-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H2,24,28)/t17-/m0/s1
InChIKeyUCPMDVYZPBPVRE-KRWDZBQOSA-N
XLogP3.28
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92636941
2-[1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251475
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92636924) is 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is NC(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is UCPMDVYZPBPVRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(28)19-14-21(25-20-9-5-4-8-18(19)20)17-12-13-26(15-17)22(27)11-10-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H2,24,28)/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92636924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).