2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C32H37N3O4 — CID 157283095

IUPAC2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)C1CC(C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C32H37N3O4/c1-23-22-29(24(2)31(36)33-26-8-4-3-5-9-26)28-10-6-7-11-30(28)35(23)32(37)25-12-14-27(15-13-25)39-21-18-34-16-19-38-20-17-34/h3-15,23-24,29H,16-22H2,1-2H3,(H,33,36)
InChIKeyAZXGLDJJLAOVJE-UHFFFAOYSA-N
MW527.67 g/mol
LogP5.20
Rot. Bonds8

About 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 157283095) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID157283095
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC Name2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)C1CC(C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C32H37N3O4/c1-23-22-29(24(2)31(36)33-26-8-4-3-5-9-26)28-10-6-7-11-30(28)35(23)32(37)25-12-14-27(15-13-25)39-21-18-34-16-19-38-20-17-34/h3-15,23-24,29H,16-22H2,1-2H3,(H,33,36)
InChIKeyAZXGLDJJLAOVJE-UHFFFAOYSA-N
XLogP5.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 157283095) is 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)C1CC(C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is AZXGLDJJLAOVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-23-22-29(24(2)31(36)33-26-8-4-3-5-9-26)28-10-6-7-11-30(28)35(23)32(37)25-12-14-27(15-13-25)39-21-18-34-16-19-38-20-17-34/h3-15,23-24,29H,16-22H2,1-2H3,(H,33,36).
What are the key properties of 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 527.67 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 157283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).