2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide

C32H37N3O — CID 10600751

IUPAC2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C32H37N3O/c1-4-21-35(22-5-2)32(36)31-29(24-34(6-3)23-25-15-9-7-10-16-25)33-28-20-14-13-19-27(28)30(31)26-17-11-8-12-18-26/h7-20H,4-6,21-24H2,1-3H3
InChIKeyGEUNOQYKVFJYGC-UHFFFAOYSA-N
MW479.67 g/mol
LogP7.19
Rot. Bonds11

About 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide

2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide (PubChem CID 10600751) has the molecular formula C32H37N3O and a molecular weight of 479.67 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide
PubChem CID10600751
Molecular FormulaC32H37N3O
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C32H37N3O/c1-4-21-35(22-5-2)32(36)31-29(24-34(6-3)23-25-15-9-7-10-16-25)33-28-20-14-13-19-27(28)30(31)26-17-11-8-12-18-26/h7-20H,4-6,21-24H2,1-3H3
InChIKeyGEUNOQYKVFJYGC-UHFFFAOYSA-N
XLogP7.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide?
The IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide (CID 10600751) is 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide.
What is the SMILES notation for 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide?
The canonical SMILES for 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide is CCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide?
The InChIKey is GEUNOQYKVFJYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O/c1-4-21-35(22-5-2)32(36)31-29(24-34(6-3)23-25-15-9-7-10-16-25)33-28-20-14-13-19-27(28)30(31)26-17-11-8-12-18-26/h7-20H,4-6,21-24H2,1-3H3.
What are the key properties of 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide?
2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 7.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-N,N-dipropylquinoline-3-carboxamide is sourced from PubChem (CID 10600751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).