6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide

C18H17N5O2 — CID 91816462

IUPAC6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H17N5O2/c24-18(22-14-3-4-15-13(10-14)2-1-5-19-15)16-11-17(21-12-20-16)23-6-8-25-9-7-23/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyOBIZIYJSYGYTOE-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.11
Rot. Bonds3

About 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide

6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide (PubChem CID 91816462) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
PubChem CID91816462
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H17N5O2/c24-18(22-14-3-4-15-13(10-14)2-1-5-19-15)16-11-17(21-12-20-16)23-6-8-25-9-7-23/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyOBIZIYJSYGYTOE-UHFFFAOYSA-N
XLogP2.11
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide (CID 91816462) is 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide is O=C(Nc1ccc2ncccc2c1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide?
The InChIKey is OBIZIYJSYGYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(22-14-3-4-15-13(10-14)2-1-5-19-15)16-11-17(21-12-20-16)23-6-8-25-9-7-23/h1-5,10-12H,6-9H2,(H,22,24).
What are the key properties of 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide?
6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91816462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).