N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide

C21H21N3O2 — CID 131964418

IUPACN-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide
SMILESO=C(c1ccnc2ccccc12)N(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(19-10-11-22-20-9-5-4-8-18(19)20)24(17-6-2-1-3-7-17)16-23-12-14-26-15-13-23/h1-11H,12-16H2
InChIKeyJDAUEPFBQVUYMT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.17
Rot. Bonds4

About N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide

N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide (PubChem CID 131964418) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide
PubChem CID131964418
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide
SMILESO=C(c1ccnc2ccccc12)N(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(19-10-11-22-20-9-5-4-8-18(19)20)24(17-6-2-1-3-7-17)16-23-12-14-26-15-13-23/h1-11H,12-16H2
InChIKeyJDAUEPFBQVUYMT-UHFFFAOYSA-N
XLogP3.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide?
The IUPAC name of N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide (CID 131964418) is N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide is O=C(c1ccnc2ccccc12)N(CN1CCOCC1)c1ccccc1.
What is the InChIKey of N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide?
The InChIKey is JDAUEPFBQVUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(19-10-11-22-20-9-5-4-8-18(19)20)24(17-6-2-1-3-7-17)16-23-12-14-26-15-13-23/h1-11H,12-16H2.
What are the key properties of N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide?
N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 131964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).