3,4-dimethyl-[1]benzofuro[2,3-b]quinoline

C17H13NO — CID 167697502

IUPAC3,4-dimethyl-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc2c(oc3nc4ccccc4cc32)c1C
InChIInChI=1S/C17H13NO/c1-10-7-8-13-14-9-12-5-3-4-6-15(12)18-17(14)19-16(13)11(10)2/h3-9H,1-2H3
InChIKeyDHQZKWQQAOPHKR-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.75
Rot. Bonds

About 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline

3,4-dimethyl-[1]benzofuro[2,3-b]quinoline (PubChem CID 167697502) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name3,4-dimethyl-[1]benzofuro[2,3-b]quinoline
PubChem CID167697502
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3,4-dimethyl-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc2c(oc3nc4ccccc4cc32)c1C
InChIInChI=1S/C17H13NO/c1-10-7-8-13-14-9-12-5-3-4-6-15(12)18-17(14)19-16(13)11(10)2/h3-9H,1-2H3
InChIKeyDHQZKWQQAOPHKR-UHFFFAOYSA-N
XLogP4.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline
CID 140827931
3-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydroquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
CID 176822430
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
1-methylacridine;hydrochloride
CID 175333750
3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline
CID 137104666
9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
CID 167697505
2-(4-phenylphenyl)-[1]benzofuro[2,3-b]quinoline
CID 159518374
3,4-dimethyl-7-phenyldibenzofuran
CID 167687602
4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502415
8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
CID 161282244
4-methylbenzo[c]acridin-1-amine
CID 141428416
N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121340920

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline (CID 167697502) is 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline is Cc1ccc2c(oc3nc4ccccc4cc32)c1C.
What is the InChIKey of 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline?
The InChIKey is DHQZKWQQAOPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-10-7-8-13-14-9-12-5-3-4-6-15(12)18-17(14)19-16(13)11(10)2/h3-9H,1-2H3.
What are the key properties of 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline?
3,4-dimethyl-[1]benzofuro[2,3-b]quinoline has a molecular weight of 247.30 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 167697502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).