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

C25H27N3O2 — CID 92636928

IUPACN,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C25H27N3O2/c1-27(2)25(30)21-16-23(26-22-11-7-6-10-20(21)22)19-14-15-28(17-19)24(29)13-12-18-8-4-3-5-9-18/h3-11,16,19H,12-15,17H2,1-2H3/t19-/m0/s1
InChIKeyIIYWPPCJRLDHPO-IBGZPJMESA-N
MW401.51 g/mol
LogP3.89
Rot. Bonds5

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

N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92636928) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92636928
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C25H27N3O2/c1-27(2)25(30)21-16-23(26-22-11-7-6-10-20(21)22)19-14-15-28(17-19)24(29)13-12-18-8-4-3-5-9-18/h3-11,16,19H,12-15,17H2,1-2H3/t19-/m0/s1
InChIKeyIIYWPPCJRLDHPO-IBGZPJMESA-N
XLogP3.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92636941
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
N,N-dimethyl-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251426
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92636928) is N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is CN(C)C(=O)c1cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is IIYWPPCJRLDHPO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(2)25(30)21-16-23(26-22-11-7-6-10-20(21)22)19-14-15-28(17-19)24(29)13-12-18-8-4-3-5-9-18/h3-11,16,19H,12-15,17H2,1-2H3/t19-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92636928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).