2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C27H26N4O3 — CID 71241909

IUPAC2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12
InChIInChI=1S/C27H26N4O3/c28-27(32)23-4-2-10-30-25(23)18-34-26-16-21(15-24-22(26)3-1-9-29-24)20-7-5-19(6-8-20)17-31-11-13-33-14-12-31/h1-10,15-16H,11-14,17-18H2,(H2,28,32)
InChIKeyKWIHZGPXHZCWIN-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.81
Rot. Bonds7

About 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241909) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241909
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12
InChIInChI=1S/C27H26N4O3/c28-27(32)23-4-2-10-30-25(23)18-34-26-16-21(15-24-22(26)3-1-9-29-24)20-7-5-19(6-8-20)17-31-11-13-33-14-12-31/h1-10,15-16H,11-14,17-18H2,(H2,28,32)
InChIKeyKWIHZGPXHZCWIN-UHFFFAOYSA-N
XLogP3.81
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241909) is 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12.
What is the InChIKey of 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is KWIHZGPXHZCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c28-27(32)23-4-2-10-30-25(23)18-34-26-16-21(15-24-22(26)3-1-9-29-24)20-7-5-19(6-8-20)17-31-11-13-33-14-12-31/h1-10,15-16H,11-14,17-18H2,(H2,28,32).
What are the key properties of 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).