N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide

C24H29N3O — CID 46334607

IUPACN-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12
InChIInChI=1S/C24H29N3O/c1-4-27(5-2)16-10-15-25-24(28)22-17-18(3)26-23-20(13-9-14-21(22)23)19-11-7-6-8-12-19/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H,25,28)
InChIKeyGHHRQVTUKUJPRH-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.67
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide

N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide (PubChem CID 46334607) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
PubChem CID46334607
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12
InChIInChI=1S/C24H29N3O/c1-4-27(5-2)16-10-15-25-24(28)22-17-18(3)26-23-20(13-9-14-21(22)23)19-11-7-6-8-12-19/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H,25,28)
InChIKeyGHHRQVTUKUJPRH-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide (CID 46334607) is N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide is CCN(CC)CCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide?
The InChIKey is GHHRQVTUKUJPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-27(5-2)16-10-15-25-24(28)22-17-18(3)26-23-20(13-9-14-21(22)23)19-11-7-6-8-12-19/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide?
N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide is sourced from PubChem (CID 46334607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).