2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C18H12N4O — CID 3845259

IUPAC2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccncc1
InChIInChI=1S/C18H12N4O/c19-10-14-15(11-5-8-21-9-6-11)13-4-3-12-2-1-7-22-16(12)17(13)23-18(14)20/h1-9,15H,20H2
InChIKeyYNEIROJBBRXLDJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.85
Rot. Bonds1

About 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 3845259) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID3845259
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccncc1
InChIInChI=1S/C18H12N4O/c19-10-14-15(11-5-8-21-9-6-11)13-4-3-12-2-1-7-22-16(12)17(13)23-18(14)20/h1-9,15H,20H2
InChIKeyYNEIROJBBRXLDJ-UHFFFAOYSA-N
XLogP2.85
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 3845259) is 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccncc1.
What is the InChIKey of 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is YNEIROJBBRXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c19-10-14-15(11-5-8-21-9-6-11)13-4-3-12-2-1-7-22-16(12)17(13)23-18(14)20/h1-9,15H,20H2.
What are the key properties of 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-4-yl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 3845259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).