N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C21H27N3O3 — CID 92638776

IUPACN-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CCN(C(=O)C(C)C)C2)nc2ccccc12
InChIInChI=1S/C21H27N3O3/c1-14(2)21(26)24-10-8-15(13-24)19-12-17(20(25)22-9-11-27-3)16-6-4-5-7-18(16)23-19/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyRGEIEDLCYSZNAP-OAHLLOKOSA-N
MW369.47 g/mol
LogP2.58
Rot. Bonds6

About N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide

N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92638776) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92638776
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@@H]2CCN(C(=O)C(C)C)C2)nc2ccccc12
InChIInChI=1S/C21H27N3O3/c1-14(2)21(26)24-10-8-15(13-24)19-12-17(20(25)22-9-11-27-3)16-6-4-5-7-18(16)23-19/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyRGEIEDLCYSZNAP-OAHLLOKOSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155
2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 110251414
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
N-(2-hydroxyethyl)-2-[(3R)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638858
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638758
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92638776) is N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is COCCNC(=O)c1cc([C@@H]2CCN(C(=O)C(C)C)C2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is RGEIEDLCYSZNAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)21(26)24-10-8-15(13-24)19-12-17(20(25)22-9-11-27-3)16-6-4-5-7-18(16)23-19/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).