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

C20H15N3O2 — CID 2863173

IUPAC2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1
InChIInChI=1S/C20H15N3O2/c1-24-14-7-4-12(5-8-14)17-15-9-6-13-3-2-10-23-18(13)19(15)25-20(22)16(17)11-21/h2-10,17H,22H2,1H3
InChIKeyNGMHEGLNXGMIRI-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds2

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

2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 2863173) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID2863173
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1
InChIInChI=1S/C20H15N3O2/c1-24-14-7-4-12(5-8-14)17-15-9-6-13-3-2-10-23-18(13)19(15)25-20(22)16(17)11-21/h2-10,17H,22H2,1H3
InChIKeyNGMHEGLNXGMIRI-UHFFFAOYSA-N
XLogP3.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 2863173) is 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is NGMHEGLNXGMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-14-7-4-12(5-8-14)17-15-9-6-13-3-2-10-23-18(13)19(15)25-20(22)16(17)11-21/h2-10,17H,22H2,1H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 2863173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).