11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one

C31H18ClNO3 — CID 162160989

IUPAC11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one
SMILESClc1c2ccccc2nc2c1oc1ccccc12.O=C1c2ccccc2Cc2c1oc1ccccc21
InChIInChI=1S/C16H10O2.C15H8ClNO/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15;16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H,9H2;1-8H
InChIKeyZMMCMTUCHWJEBD-UHFFFAOYSA-N
MW487.94 g/mol
LogP8.36
Rot. Bonds

About 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one

11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one (PubChem CID 162160989) has the molecular formula C31H18ClNO3 and a molecular weight of 487.94 g/mol. Its IUPAC name is 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one.

Molecular Properties

Compound Name11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one
PubChem CID162160989
Molecular FormulaC31H18ClNO3
Molecular Weight487.94 g/mol
Exact Mass487.10
IUPAC Name11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one
SMILESClc1c2ccccc2nc2c1oc1ccccc12.O=C1c2ccccc2Cc2c1oc1ccccc21
InChIInChI=1S/C16H10O2.C15H8ClNO/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15;16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H,9H2;1-8H
InChIKeyZMMCMTUCHWJEBD-UHFFFAOYSA-N
XLogP8.36
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.94
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one with MolForge

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Related Compounds

6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile
CID 141282945
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline
CID 143798134
N,N-dimethyl-[1]benzofuro[3,2-b]quinolin-11-amine;hydrochloride
CID 51060080
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
10H-indeno[1,2-b][1]benzofuran-3-ylmethanol
CID 158025495
4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118243365
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 176616813
11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661477

Frequently Asked Questions

What is the IUPAC name of 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one?
The IUPAC name of 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one (CID 162160989) is 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one.
What is the SMILES notation for 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one?
The canonical SMILES for 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one is Clc1c2ccccc2nc2c1oc1ccccc12.O=C1c2ccccc2Cc2c1oc1ccccc21.
What is the InChIKey of 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one?
The InChIKey is ZMMCMTUCHWJEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2.C15H8ClNO/c17-15-11-6-2-1-5-10(11)9-13-12-7-3-4-8-14(12)18-16(13)15;16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H,9H2;1-8H.
What are the key properties of 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one?
11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one has a molecular weight of 487.94 g/mol, XLogP of 8.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-[1]benzofuro[3,2-b]quinoline;11H-naphtho[2,3-b][1]benzofuran-6-one is sourced from PubChem (CID 162160989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).