2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide

C21H21N3O2 — CID 131964415

IUPAC2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H21N3O2/c22-21(25)20-16-8-4-5-9-17(16)23-18(14-24-10-12-26-13-11-24)19(20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,25)
InChIKeySIRHELYTJFJFJP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.83
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide

2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide (PubChem CID 131964415) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
PubChem CID131964415
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H21N3O2/c22-21(25)20-16-8-4-5-9-17(16)23-18(14-24-10-12-26-13-11-24)19(20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,25)
InChIKeySIRHELYTJFJFJP-UHFFFAOYSA-N
XLogP2.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide (CID 131964415) is 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide is NC(=O)c1c(-c2ccccc2)c(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide?
The InChIKey is SIRHELYTJFJFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-21(25)20-16-8-4-5-9-17(16)23-18(14-24-10-12-26-13-11-24)19(20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,25).
What are the key properties of 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide?
2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide is sourced from PubChem (CID 131964415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).