N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide

C24H28N4O — CID 56516472

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H28N4O/c1-26(2)20-12-10-18(11-13-20)17-27(3)24(29)21-16-19-8-4-5-9-22(19)25-23(21)28-14-6-7-15-28/h4-5,8-13,16H,6-7,14-15,17H2,1-3H3
InChIKeyGMUASCDGICZWDR-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.17
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 56516472) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID56516472
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H28N4O/c1-26(2)20-12-10-18(11-13-20)17-27(3)24(29)21-16-19-8-4-5-9-22(19)25-23(21)28-14-6-7-15-28/h4-5,8-13,16H,6-7,14-15,17H2,1-3H3
InChIKeyGMUASCDGICZWDR-UHFFFAOYSA-N
XLogP4.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 56516472) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is GMUASCDGICZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-26(2)20-12-10-18(11-13-20)17-27(3)24(29)21-16-19-8-4-5-9-22(19)25-23(21)28-14-6-7-15-28/h4-5,8-13,16H,6-7,14-15,17H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 56516472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).