2H-pyrano[3,2-g]isoquinoline

C12H9NO — CID 146627187

IUPAC2H-pyrano[3,2-g]isoquinoline
SMILESC1=Cc2cc3ccncc3cc2OC1
InChIInChI=1S/C12H9NO/c1-2-10-6-9-3-4-13-8-11(9)7-12(10)14-5-1/h1-4,6-8H,5H2
InChIKeyYUUULYOMNZYSRY-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.64
Rot. Bonds

About 2H-pyrano[3,2-g]isoquinoline

2H-pyrano[3,2-g]isoquinoline (PubChem CID 146627187) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2H-pyrano[3,2-g]isoquinoline.

Molecular Properties

Compound Name2H-pyrano[3,2-g]isoquinoline
PubChem CID146627187
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2H-pyrano[3,2-g]isoquinoline
SMILESC1=Cc2cc3ccncc3cc2OC1
InChIInChI=1S/C12H9NO/c1-2-10-6-9-3-4-13-8-11(9)7-12(10)14-5-1/h1-4,6-8H,5H2
InChIKeyYUUULYOMNZYSRY-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-benzo[g]chromene
CID 22983284
2H-pyrano[3,2-c]pyridine;hydrochloride
CID 139676517
2H-selenopheno[3,2-g]chromene
CID 152758653
6H-cyclopropa[g]isoquinoline
CID 142805400
2,3,4,5-tetrahydropyrido[3,4-h][1,4]benzoxazepine
CID 155364431
1,3-dihydrofuro[3,4-g]isoquinoline
CID 91665983
2H-chromen-7-yl hypochlorite
CID 151530160
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
ethane;7-ethyl-2H-chromene
CID 171509534
6-ethenyl-7-methoxy-2H-chromene
CID 91748878
2H-chromene;methane;molybdenum;vanadium
CID 173308227
2H-chromene;ethane
CID 68570874

Frequently Asked Questions

What is the IUPAC name of 2H-pyrano[3,2-g]isoquinoline?
The IUPAC name of 2H-pyrano[3,2-g]isoquinoline (CID 146627187) is 2H-pyrano[3,2-g]isoquinoline.
What is the SMILES notation for 2H-pyrano[3,2-g]isoquinoline?
The canonical SMILES for 2H-pyrano[3,2-g]isoquinoline is C1=Cc2cc3ccncc3cc2OC1.
What is the InChIKey of 2H-pyrano[3,2-g]isoquinoline?
The InChIKey is YUUULYOMNZYSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-10-6-9-3-4-13-8-11(9)7-12(10)14-5-1/h1-4,6-8H,5H2.
What are the key properties of 2H-pyrano[3,2-g]isoquinoline?
2H-pyrano[3,2-g]isoquinoline has a molecular weight of 183.21 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrano[3,2-g]isoquinoline is sourced from PubChem (CID 146627187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).