2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide

C24H31N3O2 — CID 27369763

IUPAC2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1
InChIInChI=1S/C24H31N3O2/c1-18-6-3-4-8-21(18)24(28)25-17-23(27-12-14-29-15-13-27)20-9-10-22-19(16-20)7-5-11-26(22)2/h3-4,6,8-10,16,23H,5,7,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyFFXKQKPLYHMKEO-QHCPKHFHSA-N
MW393.53 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide

2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 27369763) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID27369763
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1
InChIInChI=1S/C24H31N3O2/c1-18-6-3-4-8-21(18)24(28)25-17-23(27-12-14-29-15-13-27)20-9-10-22-19(16-20)7-5-11-26(22)2/h3-4,6,8-10,16,23H,5,7,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyFFXKQKPLYHMKEO-QHCPKHFHSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide (CID 27369763) is 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is FFXKQKPLYHMKEO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-6-3-4-8-21(18)24(28)25-17-23(27-12-14-29-15-13-27)20-9-10-22-19(16-20)7-5-11-26(22)2/h3-4,6,8-10,16,23H,5,7,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 27369763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).