2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline

C22H21NO — CID 59572219

IUPAC2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline
SMILESCc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1C2
InChIInChI=1S/C22H21NO/c1-15-13-18-14-17-8-3-5-11-20(17)23(22(18)24-15)21-12-6-9-16-7-2-4-10-19(16)21/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3
InChIKeyINPRRECQKNBFKY-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.84
Rot. Bonds1

About 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline

2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline (PubChem CID 59572219) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline.

Molecular Properties

Compound Name2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline
PubChem CID59572219
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline
SMILESCc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1C2
InChIInChI=1S/C22H21NO/c1-15-13-18-14-17-8-3-5-11-20(17)23(22(18)24-15)21-12-6-9-16-7-2-4-10-19(16)21/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3
InChIKeyINPRRECQKNBFKY-UHFFFAOYSA-N
XLogP5.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline?
The IUPAC name of 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline (CID 59572219) is 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline.
What is the SMILES notation for 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline?
The canonical SMILES for 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline is Cc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1C2.
What is the InChIKey of 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline?
The InChIKey is INPRRECQKNBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-15-13-18-14-17-8-3-5-11-20(17)23(22(18)24-15)21-12-6-9-16-7-2-4-10-19(16)21/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3.
What are the key properties of 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline?
2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline has a molecular weight of 315.42 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline is sourced from PubChem (CID 59572219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).