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

C24H24N4O4 — CID 56679787

IUPAC2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCOc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1
InChIInChI=1S/C24H24N4O4/c1-30-15-5-6-18-14(11-15)12-16(24(27-18)28-7-9-31-10-8-28)21-17(13-25)23(26)32-20-4-2-3-19(29)22(20)21/h5-6,11-12,21H,2-4,7-10,26H2,1H3
InChIKeyVSAWUKYBHPBXHF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.89
Rot. Bonds3

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

2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 56679787) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID56679787
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCOc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1
InChIInChI=1S/C24H24N4O4/c1-30-15-5-6-18-14(11-15)12-16(24(27-18)28-7-9-31-10-8-28)21-17(13-25)23(26)32-20-4-2-3-19(29)22(20)21/h5-6,11-12,21H,2-4,7-10,26H2,1H3
InChIKeyVSAWUKYBHPBXHF-UHFFFAOYSA-N
XLogP2.89
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 56679787) is 2-amino-4-(6-methoxy-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-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is COc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1.
What is the InChIKey of 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is VSAWUKYBHPBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-30-15-5-6-18-14(11-15)12-16(24(27-18)28-7-9-31-10-8-28)21-17(13-25)23(26)32-20-4-2-3-19(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-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 56679787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).