3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide

C29H29N3O2 — CID 91406952

IUPAC3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h2-15,21H,16-20H2,1H3,(H,30,33)
InChIKeyMOEVIWMIGVIXHG-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.22
Rot. Bonds6

About 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide

3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 91406952) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID91406952
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h2-15,21H,16-20H2,1H3,(H,30,33)
InChIKeyMOEVIWMIGVIXHG-UHFFFAOYSA-N
XLogP5.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-oxo-4-[4-[[2-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]quinolin-3-yl]methyl]piperazin-1-yl]but-2-enoic acid
CID 69450239
2-[4-[[2-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]quinolin-3-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 10189007
3-[4-[[2-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]quinolin-3-yl]methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 10282167
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
3-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 91513705
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
N-[(1R)-1-cyclohexylethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide
CID 10165563
N-[(1S)-1-cyclohexylethyl]-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide
CID 10301364
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
7-chloro-6-ethylsulfonyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 53477252
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
3-[[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid
CID 69437039

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide (CID 91406952) is 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide is CC(NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is MOEVIWMIGVIXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h2-15,21H,16-20H2,1H3,(H,30,33).
What are the key properties of 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 91406952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).