[1]benzofuro[4,5-g]quinoline;hydrochloride

C15H10ClNO — CID 68728891

IUPAC[1]benzofuro[4,5-g]quinoline;hydrochloride
SMILESCl.c1cnc2cc3ccc4occc4c3cc2c1
InChIInChI=1S/C15H9NO.ClH/c1-2-11-8-13-10(9-14(11)16-6-1)3-4-15-12(13)5-7-17-15;/h1-9H;1H
InChIKeyROOJIXALJWHPJQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.56
Rot. Bonds

About [1]benzofuro[4,5-g]quinoline;hydrochloride

[1]benzofuro[4,5-g]quinoline;hydrochloride (PubChem CID 68728891) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is [1]benzofuro[4,5-g]quinoline;hydrochloride.

Molecular Properties

Compound Name[1]benzofuro[4,5-g]quinoline;hydrochloride
PubChem CID68728891
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name[1]benzofuro[4,5-g]quinoline;hydrochloride
SMILESCl.c1cnc2cc3ccc4occc4c3cc2c1
InChIInChI=1S/C15H9NO.ClH/c1-2-11-8-13-10(9-14(11)16-6-1)3-4-15-12(13)5-7-17-15;/h1-9H;1H
InChIKeyROOJIXALJWHPJQ-UHFFFAOYSA-N
XLogP4.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
furo[2,3-g][1,3]benzoxazole
CID 45120277
13-oxa-22-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1,3,5,7,9,11,14,16,18(23),19,21,24-dodecaene
CID 175465437
18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294870
6-bromo-7-(trifluoromethyl)quinoline
CID 91659035
6-bromo-7-chloroquinoline
CID 14548344
7-deuteriooxyquinoline
CID 138396179
2-methylpyrido[2,3-g][3,1]benzoxazin-4-one
CID 141167289
8,25-diazaheptacyclo[16.12.0.02,15.04,13.07,12.020,29.021,26]triaconta-1(18),2(15),3,5,7(12),8,10,13,19,21(26),22,24,27,29-tetradecaene
CID 170710818
2,6,13,15,19,26,28,32,39-nonazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,6,8,10,13,16(25),17,19,21,23,26,29(38),30,32,34,36-octadecaene
CID 129087589
9-chlorobenzo[e][1]benzofuran
CID 176753779

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[4,5-g]quinoline;hydrochloride?
The IUPAC name of [1]benzofuro[4,5-g]quinoline;hydrochloride (CID 68728891) is [1]benzofuro[4,5-g]quinoline;hydrochloride.
What is the SMILES notation for [1]benzofuro[4,5-g]quinoline;hydrochloride?
The canonical SMILES for [1]benzofuro[4,5-g]quinoline;hydrochloride is Cl.c1cnc2cc3ccc4occc4c3cc2c1.
What is the InChIKey of [1]benzofuro[4,5-g]quinoline;hydrochloride?
The InChIKey is ROOJIXALJWHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO.ClH/c1-2-11-8-13-10(9-14(11)16-6-1)3-4-15-12(13)5-7-17-15;/h1-9H;1H.
What are the key properties of [1]benzofuro[4,5-g]quinoline;hydrochloride?
[1]benzofuro[4,5-g]quinoline;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[4,5-g]quinoline;hydrochloride is sourced from PubChem (CID 68728891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).