9-chloroacenaphthyleno[2,1-b]quinoline

C19H10ClN — CID 15183526

IUPAC9-chloroacenaphthyleno[2,1-b]quinoline
SMILESClc1ccc2cc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H10ClN/c20-13-8-7-12-9-16-14-5-1-3-11-4-2-6-15(18(11)14)19(16)21-17(12)10-13/h1-10H
InChIKeyDVRVYBDJPIJKFU-UHFFFAOYSA-N
MW287.75 g/mol
LogP5.69
Rot. Bonds

About 9-chloroacenaphthyleno[2,1-b]quinoline

9-chloroacenaphthyleno[2,1-b]quinoline (PubChem CID 15183526) has the molecular formula C19H10ClN and a molecular weight of 287.75 g/mol. Its IUPAC name is 9-chloroacenaphthyleno[2,1-b]quinoline.

Molecular Properties

Compound Name9-chloroacenaphthyleno[2,1-b]quinoline
PubChem CID15183526
Molecular FormulaC19H10ClN
Molecular Weight287.75 g/mol
Exact Mass287.05
IUPAC Name9-chloroacenaphthyleno[2,1-b]quinoline
SMILESClc1ccc2cc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H10ClN/c20-13-8-7-12-9-16-14-5-1-3-11-4-2-6-15(18(11)14)19(16)21-17(12)10-13/h1-10H
InChIKeyDVRVYBDJPIJKFU-UHFFFAOYSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.75
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chlorofluoranthene
CID 15737453
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
CID 169081927
3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline
CID 22399508
acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
CID 71230104
fluoranthene
CID 139203734
benzo[k]fluoranthene;ethane
CID 142369852
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164749311
3,5-dichlorophenanthrene
CID 123462675
3-bromo-7-chlorocinnoline
CID 53423850

Frequently Asked Questions

What is the IUPAC name of 9-chloroacenaphthyleno[2,1-b]quinoline?
The IUPAC name of 9-chloroacenaphthyleno[2,1-b]quinoline (CID 15183526) is 9-chloroacenaphthyleno[2,1-b]quinoline.
What is the SMILES notation for 9-chloroacenaphthyleno[2,1-b]quinoline?
The canonical SMILES for 9-chloroacenaphthyleno[2,1-b]quinoline is Clc1ccc2cc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 9-chloroacenaphthyleno[2,1-b]quinoline?
The InChIKey is DVRVYBDJPIJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN/c20-13-8-7-12-9-16-14-5-1-3-11-4-2-6-15(18(11)14)19(16)21-17(12)10-13/h1-10H.
What are the key properties of 9-chloroacenaphthyleno[2,1-b]quinoline?
9-chloroacenaphthyleno[2,1-b]quinoline has a molecular weight of 287.75 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloroacenaphthyleno[2,1-b]quinoline is sourced from PubChem (CID 15183526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).