2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C23H16N4O2 — CID 3168139

IUPAC2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2cc(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1
InChIInChI=1S/C23H16N4O2/c1-12-4-5-14-10-16(23(28)27-18(14)9-12)19-15-7-6-13-3-2-8-26-20(13)21(15)29-22(25)17(19)11-24/h2-10,19H,25H2,1H3,(H,27,28)
InChIKeyKZLQPKLIQJAUOZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.60
Rot. Bonds1

About 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 3168139) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID3168139
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2cc(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1
InChIInChI=1S/C23H16N4O2/c1-12-4-5-14-10-16(23(28)27-18(14)9-12)19-15-7-6-13-3-2-8-26-20(13)21(15)29-22(25)17(19)11-24/h2-10,19H,25H2,1H3,(H,27,28)
InChIKeyKZLQPKLIQJAUOZ-UHFFFAOYSA-N
XLogP3.60
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 3168139) is 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is Cc1ccc2cc(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is KZLQPKLIQJAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-12-4-5-14-10-16(23(28)27-18(14)9-12)19-15-7-6-13-3-2-8-26-20(13)21(15)29-22(25)17(19)11-24/h2-10,19H,25H2,1H3,(H,27,28).
What are the key properties of 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 380.41 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 3168139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).