4-(3-methylfuran-2-yl)isoquinoline

C14H11NO — CID 139238940

IUPAC4-(3-methylfuran-2-yl)isoquinoline
SMILESCc1ccoc1-c1cncc2ccccc12
InChIInChI=1S/C14H11NO/c1-10-6-7-16-14(10)13-9-15-8-11-4-2-3-5-12(11)13/h2-9H,1H3
InChIKeySPEDYSLGTVDPEH-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

About 4-(3-methylfuran-2-yl)isoquinoline

4-(3-methylfuran-2-yl)isoquinoline (PubChem CID 139238940) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-methylfuran-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(3-methylfuran-2-yl)isoquinoline
PubChem CID139238940
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-(3-methylfuran-2-yl)isoquinoline
SMILESCc1ccoc1-c1cncc2ccccc12
InChIInChI=1S/C14H11NO/c1-10-6-7-16-14(10)13-9-15-8-11-4-2-3-5-12(11)13/h2-9H,1H3
InChIKeySPEDYSLGTVDPEH-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-anthracen-9-yl-3-methylfuran
CID 139238937
(3-isoquinolin-4-yl-4-methylphenyl)methanamine
CID 105408814
isoquinolin-4-yl(trimethyl)silane
CID 130535883
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline
CID 166273296
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
CID 104504891
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099
2,3-dinaphthalen-1-ylfuran
CID 166006483
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
CID 63940331

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylfuran-2-yl)isoquinoline?
The IUPAC name of 4-(3-methylfuran-2-yl)isoquinoline (CID 139238940) is 4-(3-methylfuran-2-yl)isoquinoline.
What is the SMILES notation for 4-(3-methylfuran-2-yl)isoquinoline?
The canonical SMILES for 4-(3-methylfuran-2-yl)isoquinoline is Cc1ccoc1-c1cncc2ccccc12.
What is the InChIKey of 4-(3-methylfuran-2-yl)isoquinoline?
The InChIKey is SPEDYSLGTVDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-6-7-16-14(10)13-9-15-8-11-4-2-3-5-12(11)13/h2-9H,1H3.
What are the key properties of 4-(3-methylfuran-2-yl)isoquinoline?
4-(3-methylfuran-2-yl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylfuran-2-yl)isoquinoline is sourced from PubChem (CID 139238940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).