2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

C24H24N4O3 — CID 56673146

IUPAC2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1
InChIInChI=1S/C24H24N4O3/c1-14-5-6-18-15(11-14)12-16(24(27-18)28-7-9-30-10-8-28)21-17(13-25)23(26)31-20-4-2-3-19(29)22(20)21/h5-6,11-12,21H,2-4,7-10,26H2,1H3
InChIKeyBHDJMQFABDZPRW-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.19
Rot. Bonds2

About 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 56673146) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID56673146
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1
InChIInChI=1S/C24H24N4O3/c1-14-5-6-18-15(11-14)12-16(24(27-18)28-7-9-30-10-8-28)21-17(13-25)23(26)31-20-4-2-3-19(29)22(20)21/h5-6,11-12,21H,2-4,7-10,26H2,1H3
InChIKeyBHDJMQFABDZPRW-UHFFFAOYSA-N
XLogP3.19
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 56673146) is 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is Cc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1.
What is the InChIKey of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is BHDJMQFABDZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-5-6-18-15(11-14)12-16(24(27-18)28-7-9-30-10-8-28)21-17(13-25)23(26)31-20-4-2-3-19(29)22(20)21/h5-6,11-12,21H,2-4,7-10,26H2,1H3.
What are the key properties of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 416.48 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 56673146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).