3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline

C19H16ClNO2 — CID 139442841

IUPAC3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline
SMILESCOCc1ccc2c(c1)C(c1ccc3ncc(Cl)cc3c1)OC2
InChIInChI=1S/C19H16ClNO2/c1-22-10-12-2-3-14-11-23-19(17(14)6-12)13-4-5-18-15(7-13)8-16(20)9-21-18/h2-9,19H,10-11H2,1H3
InChIKeyOZXSNZBKJHNQQV-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.65
Rot. Bonds3

About 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline

3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline (PubChem CID 139442841) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline.

Molecular Properties

Compound Name3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline
PubChem CID139442841
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline
SMILESCOCc1ccc2c(c1)C(c1ccc3ncc(Cl)cc3c1)OC2
InChIInChI=1S/C19H16ClNO2/c1-22-10-12-2-3-14-11-23-19(17(14)6-12)13-4-5-18-15(7-13)8-16(20)9-21-18/h2-9,19H,10-11H2,1H3
InChIKeyOZXSNZBKJHNQQV-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-(1,3-dihydro-2-benzofuran-4-ylmethyl)-N'-propylpropane-1,3-diamine
CID 44413671
3-[5-(3-chloro-2-pyridinyl)-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 162640354
4-(2-Chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline
CID 88973483
3-(4-fluorophenyl)-N,N-dimethyl-3-(5-quinolin-3-yl-1,3-dihydro-2-benzofuran-1-yl)propan-1-amine
CID 138679126
3-[5-(7-chloro-1-methylindol-5-yl)-1,3-dihydro-2-benzofuran-1-yl]-3-(4-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 138679128
1-[5-(7-chloro-1-methylindol-5-yl)-1,3-dihydro-2-benzofuran-1-yl]-3-(4-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 138679130
3-(4-fluorophenyl)-N,N-dimethyl-1-(5-quinolin-3-yl-1,3-dihydro-2-benzofuran-1-yl)propan-1-amine
CID 138679155
2-(4-fluorophenyl)-N,N-dimethyl-1-(5-quinolin-3-yl-1,3-dihydro-2-benzofuran-1-yl)propan-1-amine
CID 141678838
1-[5-(7-chloro-1-methylindol-5-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-(4-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 141678840
6,8-Dihydrofuro[3,4-g]quinoline
CID 102077867
6-(3-Phenyl-1-phenylmethoxypropyl)quinoline
CID 102460471
6-(Oxolan-2-yl)quinoline
CID 132493112

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline?
The IUPAC name of 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline (CID 139442841) is 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline.
What is the SMILES notation for 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline?
The canonical SMILES for 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline is COCc1ccc2c(c1)C(c1ccc3ncc(Cl)cc3c1)OC2.
What is the InChIKey of 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline?
The InChIKey is OZXSNZBKJHNQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-22-10-12-2-3-14-11-23-19(17(14)6-12)13-4-5-18-15(7-13)8-16(20)9-21-18/h2-9,19H,10-11H2,1H3.
What are the key properties of 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline?
3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline has a molecular weight of 325.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline is sourced from PubChem (CID 139442841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).