ethane;11-methyl-[1]benzofuro[3,2-b]quinoline

C18H17NO — CID 143798134

IUPACethane;11-methyl-[1]benzofuro[3,2-b]quinoline
SMILESCC.Cc1c2ccccc2nc2c1oc1ccccc12
InChIInChI=1S/C16H11NO.C2H6/c1-10-11-6-2-4-8-13(11)17-15-12-7-3-5-9-14(12)18-16(10)15;1-2/h2-9H,1H3;1-2H3
InChIKeySDRHJIDCMSNUPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP5.47
Rot. Bonds

About ethane;11-methyl-[1]benzofuro[3,2-b]quinoline

ethane;11-methyl-[1]benzofuro[3,2-b]quinoline (PubChem CID 143798134) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is ethane;11-methyl-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Nameethane;11-methyl-[1]benzofuro[3,2-b]quinoline
PubChem CID143798134
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Nameethane;11-methyl-[1]benzofuro[3,2-b]quinoline
SMILESCC.Cc1c2ccccc2nc2c1oc1ccccc12
InChIInChI=1S/C16H11NO.C2H6/c1-10-11-6-2-4-8-13(11)17-15-12-7-3-5-9-14(12)18-16(10)15;1-2/h2-9H,1H3;1-2H3
InChIKeySDRHJIDCMSNUPY-UHFFFAOYSA-N
XLogP5.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
N,N-dimethyl-[1]benzofuro[3,2-b]quinolin-11-amine;hydrochloride
CID 51060080
11-(4-methoxyphenyl)-[1]benzofuro[3,2-b]quinoline
CID 11809524
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661945
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
CID 135958604
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661744

Frequently Asked Questions

What is the IUPAC name of ethane;11-methyl-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of ethane;11-methyl-[1]benzofuro[3,2-b]quinoline (CID 143798134) is ethane;11-methyl-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for ethane;11-methyl-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for ethane;11-methyl-[1]benzofuro[3,2-b]quinoline is CC.Cc1c2ccccc2nc2c1oc1ccccc12.
What is the InChIKey of ethane;11-methyl-[1]benzofuro[3,2-b]quinoline?
The InChIKey is SDRHJIDCMSNUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO.C2H6/c1-10-11-6-2-4-8-13(11)17-15-12-7-3-5-9-14(12)18-16(10)15;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;11-methyl-[1]benzofuro[3,2-b]quinoline?
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline has a molecular weight of 263.34 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;11-methyl-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 143798134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).