2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile

C21H22N6O2 — CID 155554125

IUPAC2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C#N
InChIInChI=1S/C21H22N6O2/c1-28-21-16(12-22)10-17(13-24-21)15-2-3-19-18(11-15)20(26-14-25-19)23-4-5-27-6-8-29-9-7-27/h2-3,10-11,13-14H,4-9H2,1H3,(H,23,25,26)
InChIKeyGNJXDCIDKCOMEA-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.32
Rot. Bonds6

About 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile

2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile (PubChem CID 155554125) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile
PubChem CID155554125
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C#N
InChIInChI=1S/C21H22N6O2/c1-28-21-16(12-22)10-17(13-24-21)15-2-3-19-18(11-15)20(26-14-25-19)23-4-5-27-6-8-29-9-7-27/h2-3,10-11,13-14H,4-9H2,1H3,(H,23,25,26)
InChIKeyGNJXDCIDKCOMEA-UHFFFAOYSA-N
XLogP2.32
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile (CID 155554125) is 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile is COc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile?
The InChIKey is GNJXDCIDKCOMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-28-21-16(12-22)10-17(13-24-21)15-2-3-19-18(11-15)20(26-14-25-19)23-4-5-27-6-8-29-9-7-27/h2-3,10-11,13-14H,4-9H2,1H3,(H,23,25,26).
What are the key properties of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile?
2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile has a molecular weight of 390.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155554125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).