2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile

C19H19N5O3 — CID 135697728

IUPAC2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccc1C#N
InChIInChI=1S/C19H19N5O3/c1-4-24(18-12(10-20)6-5-7-21-18)11-17-22-14-9-16(27-3)15(26-2)8-13(14)19(25)23-17/h5-9H,4,11H2,1-3H3,(H,22,23,25)
InChIKeyRCKPBPOQTWOLNY-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.23
Rot. Bonds6

About 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile

2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile (PubChem CID 135697728) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
PubChem CID135697728
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccc1C#N
InChIInChI=1S/C19H19N5O3/c1-4-24(18-12(10-20)6-5-7-21-18)11-17-22-14-9-16(27-3)15(26-2)8-13(14)19(25)23-17/h5-9H,4,11H2,1-3H3,(H,22,23,25)
InChIKeyRCKPBPOQTWOLNY-UHFFFAOYSA-N
XLogP2.23
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile (CID 135697728) is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccc1C#N.
What is the InChIKey of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile?
The InChIKey is RCKPBPOQTWOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-4-24(18-12(10-20)6-5-7-21-18)11-17-22-14-9-16(27-3)15(26-2)8-13(14)19(25)23-17/h5-9H,4,11H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile?
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 135697728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).