(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide

C20H26N4O2 — CID 97194025

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)CC1=O
InChIInChI=1S/C20H26N4O2/c1-22(2)9-10-24-14-17(12-19(24)25)20(26)23(3)13-15-6-7-18-16(11-15)5-4-8-21-18/h4-8,11,17H,9-10,12-14H2,1-3H3/t17-/m0/s1
InChIKeyQISGBBTZGHFIRP-KRWDZBQOSA-N
MW354.45 g/mol
LogP1.60
Rot. Bonds6

About (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97194025) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97194025
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)CC1=O
InChIInChI=1S/C20H26N4O2/c1-22(2)9-10-24-14-17(12-19(24)25)20(26)23(3)13-15-6-7-18-16(11-15)5-4-8-21-18/h4-8,11,17H,9-10,12-14H2,1-3H3/t17-/m0/s1
InChIKeyQISGBBTZGHFIRP-KRWDZBQOSA-N
XLogP1.60
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199859
(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199858
1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 167906316
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide (CID 97194025) is (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide is CN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)CC1=O.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is QISGBBTZGHFIRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22(2)9-10-24-14-17(12-19(24)25)20(26)23(3)13-15-6-7-18-16(11-15)5-4-8-21-18/h4-8,11,17H,9-10,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97194025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).