6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde

C11H8ClNO3 — CID 71669632

IUPAC6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
SMILESO=CC1Cc2cc3c(cc2N=C1Cl)OCO3
InChIInChI=1S/C11H8ClNO3/c12-11-7(4-14)1-6-2-9-10(16-5-15-9)3-8(6)13-11/h2-4,7H,1,5H2
InChIKeyMOIDQGLAMRYRBN-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.06
Rot. Bonds1

About 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde

6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde (PubChem CID 71669632) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
PubChem CID71669632
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
SMILESO=CC1Cc2cc3c(cc2N=C1Cl)OCO3
InChIInChI=1S/C11H8ClNO3/c12-11-7(4-14)1-6-2-9-10(16-5-15-9)3-8(6)13-11/h2-4,7H,1,5H2
InChIKeyMOIDQGLAMRYRBN-UHFFFAOYSA-N
XLogP2.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The IUPAC name of 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde (CID 71669632) is 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde.
What is the SMILES notation for 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The canonical SMILES for 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde is O=CC1Cc2cc3c(cc2N=C1Cl)OCO3.
What is the InChIKey of 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The InChIKey is MOIDQGLAMRYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-11-7(4-14)1-6-2-9-10(16-5-15-9)3-8(6)13-11/h2-4,7H,1,5H2.
What are the key properties of 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde has a molecular weight of 237.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde is sourced from PubChem (CID 71669632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).