7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide

C20H17ClN2O4 — CID 56534843

IUPAC7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H17ClN2O4/c21-15-10-14(11-17-19(15)27-12-26-17)20(24)23-8-3-9-25-16-6-1-4-13-5-2-7-22-18(13)16/h1-2,4-7,10-11H,3,8-9,12H2,(H,23,24)
InChIKeyBDFCTTDNIWAUPJ-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.82
Rot. Bonds6

About 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide

7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 56534843) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID56534843
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H17ClN2O4/c21-15-10-14(11-17-19(15)27-12-26-17)20(24)23-8-3-9-25-16-6-1-4-13-5-2-7-22-18(13)16/h1-2,4-7,10-11H,3,8-9,12H2,(H,23,24)
InChIKeyBDFCTTDNIWAUPJ-UHFFFAOYSA-N
XLogP3.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
5-chloro-2-pyrrolidin-1-yl-N-(3-quinolin-8-yloxypropyl)pyrimidine-4-carboxamide
CID 56534638
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 17488428
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide (CID 56534843) is 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide is O=C(NCCCOc1cccc2cccnc12)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is BDFCTTDNIWAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-10-14(11-17-19(15)27-12-26-17)20(24)23-8-3-9-25-16-6-1-4-13-5-2-7-22-18(13)16/h1-2,4-7,10-11H,3,8-9,12H2,(H,23,24).
What are the key properties of 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide?
7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56534843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).