5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile

C19H20N6O — CID 155549676

IUPAC5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(NCCN(C)C)c3c2)cc1C#N
InChIInChI=1S/C19H20N6O/c1-25(2)7-6-21-18-16-9-13(4-5-17(16)23-12-24-18)15-8-14(10-20)19(26-3)22-11-15/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,23,24)
InChIKeyONSUZQUHZXIMBX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds6

About 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile

5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 155549676) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID155549676
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(NCCN(C)C)c3c2)cc1C#N
InChIInChI=1S/C19H20N6O/c1-25(2)7-6-21-18-16-9-13(4-5-17(16)23-12-24-18)15-8-14(10-20)19(26-3)22-11-15/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,23,24)
InChIKeyONSUZQUHZXIMBX-UHFFFAOYSA-N
XLogP2.55
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile (CID 155549676) is 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile is COc1ncc(-c2ccc3ncnc(NCCN(C)C)c3c2)cc1C#N.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is ONSUZQUHZXIMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-25(2)7-6-21-18-16-9-13(4-5-17(16)23-12-24-18)15-8-14(10-20)19(26-3)22-11-15/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,23,24).
What are the key properties of 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 155549676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).