1,3-dihydrofuro[3,4-g]isoquinoline

C11H9NO — CID 91665983

IUPAC1,3-dihydrofuro[3,4-g]isoquinoline
SMILESc1cc2cc3c(cc2cn1)COC3
InChIInChI=1S/C11H9NO/c1-2-12-5-9-4-11-7-13-6-10(11)3-8(1)9/h1-5H,6-7H2
InChIKeyNJUZLTFBKVUARZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.27
Rot. Bonds

About 1,3-dihydrofuro[3,4-g]isoquinoline

1,3-dihydrofuro[3,4-g]isoquinoline (PubChem CID 91665983) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,3-dihydrofuro[3,4-g]isoquinoline.

Molecular Properties

Compound Name1,3-dihydrofuro[3,4-g]isoquinoline
PubChem CID91665983
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1,3-dihydrofuro[3,4-g]isoquinoline
SMILESc1cc2cc3c(cc2cn1)COC3
InChIInChI=1S/C11H9NO/c1-2-12-5-9-4-11-7-13-6-10(11)3-8(1)9/h1-5H,6-7H2
InChIKeyNJUZLTFBKVUARZ-UHFFFAOYSA-N
XLogP2.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6H-cyclopropa[g]isoquinoline
CID 142805400
1,3-dihydrobenzo[f][2]benzofuran
CID 15555103
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
2,3,4,5-tetrahydropyrido[3,4-h][1,4]benzoxazepine
CID 155364431
4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine
CID 83167602
2H-pyrano[3,2-g]isoquinoline
CID 146627187
7-fluoro-6-methylisoquinoline
CID 21300598
2,4-dihydro-1H-pyrido[4,3-d][1,3]oxazine
CID 141034032
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
CID 115817753
isoquinoline-7-carboxylic acid
CID 18468721
1H-pyrrolo[2,3-g]isoquinoline
CID 22622032
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114078615

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrofuro[3,4-g]isoquinoline?
The IUPAC name of 1,3-dihydrofuro[3,4-g]isoquinoline (CID 91665983) is 1,3-dihydrofuro[3,4-g]isoquinoline.
What is the SMILES notation for 1,3-dihydrofuro[3,4-g]isoquinoline?
The canonical SMILES for 1,3-dihydrofuro[3,4-g]isoquinoline is c1cc2cc3c(cc2cn1)COC3.
What is the InChIKey of 1,3-dihydrofuro[3,4-g]isoquinoline?
The InChIKey is NJUZLTFBKVUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-12-5-9-4-11-7-13-6-10(11)3-8(1)9/h1-5H,6-7H2.
What are the key properties of 1,3-dihydrofuro[3,4-g]isoquinoline?
1,3-dihydrofuro[3,4-g]isoquinoline has a molecular weight of 171.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrofuro[3,4-g]isoquinoline is sourced from PubChem (CID 91665983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).