2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C24H18N4O2 — CID 3168141

IUPAC2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCCc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1
InChIInChI=1S/C24H18N4O2/c1-2-13-5-8-19-15(10-13)11-17(24(29)28-19)20-16-7-6-14-4-3-9-27-21(14)22(16)30-23(26)18(20)12-25/h3-11,20H,2,26H2,1H3,(H,28,29)
InChIKeyCZMDPSYGJSHWDV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.86
Rot. Bonds2

About 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 3168141) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID3168141
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCCc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1
InChIInChI=1S/C24H18N4O2/c1-2-13-5-8-19-15(10-13)11-17(24(29)28-19)20-16-7-6-14-4-3-9-27-21(14)22(16)30-23(26)18(20)12-25/h3-11,20H,2,26H2,1H3,(H,28,29)
InChIKeyCZMDPSYGJSHWDV-UHFFFAOYSA-N
XLogP3.86
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 3168141) is 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is CCc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1.
What is the InChIKey of 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is CZMDPSYGJSHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-2-13-5-8-19-15(10-13)11-17(24(29)28-19)20-16-7-6-14-4-3-9-27-21(14)22(16)30-23(26)18(20)12-25/h3-11,20H,2,26H2,1H3,(H,28,29).
What are the key properties of 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 394.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 3168141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).