2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C20H15N3O — CID 613864

IUPAC2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1
InChIInChI=1S/C20H15N3O/c1-12-4-6-13(7-5-12)17-15-9-8-14-3-2-10-23-18(14)19(15)24-20(22)16(17)11-21/h2-10,17H,22H2,1H3
InChIKeyZWSCNYBAYYLQHG-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.76
Rot. Bonds1

About 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 613864) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID613864
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1
InChIInChI=1S/C20H15N3O/c1-12-4-6-13(7-5-12)17-15-9-8-14-3-2-10-23-18(14)19(15)24-20(22)16(17)11-21/h2-10,17H,22H2,1H3
InChIKeyZWSCNYBAYYLQHG-UHFFFAOYSA-N
XLogP3.76
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 613864) is 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is ZWSCNYBAYYLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-12-4-6-13(7-5-12)17-15-9-8-14-3-2-10-23-18(14)19(15)24-20(22)16(17)11-21/h2-10,17H,22H2,1H3.
What are the key properties of 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 613864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).