6-chloro-[1,3]dioxolo[4,5-j]phenanthridine

C14H8ClNO2 — CID 11032549

IUPAC6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
SMILESClc1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C14H8ClNO2/c15-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)16-14/h1-6H,7H2
InChIKeyQSZDPKFVIWPPNM-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.77
Rot. Bonds

About 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine

6-chloro-[1,3]dioxolo[4,5-j]phenanthridine (PubChem CID 11032549) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine.

Molecular Properties

Compound Name6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
PubChem CID11032549
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
SMILESClc1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C14H8ClNO2/c15-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)16-14/h1-6H,7H2
InChIKeyQSZDPKFVIWPPNM-UHFFFAOYSA-N
XLogP3.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
CID 134841525
6,7-dichloro-[1,3]dioxolo[4,5-g]quinoxaline
CID 133062918
6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237684
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
6-(3-methylbutoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237683
3-(1,3-benzodioxol-5-yl)-1-chloroisoquinoline
CID 22503396
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 15507696
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
4-chloro-1H-furo[3,4-c]quinolin-3-one
CID 57030353
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline
CID 141339139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine?
The IUPAC name of 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine (CID 11032549) is 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine.
What is the SMILES notation for 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine?
The canonical SMILES for 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine is Clc1nc2ccccc2c2cc3c(cc12)OCO3.
What is the InChIKey of 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine?
The InChIKey is QSZDPKFVIWPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)16-14/h1-6H,7H2.
What are the key properties of 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine?
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine has a molecular weight of 257.68 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,3]dioxolo[4,5-j]phenanthridine is sourced from PubChem (CID 11032549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).