3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide

C19H16Cl2N2O2 — CID 39867044

IUPAC3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-2-9-25-18-14(20)10-13(11-15(18)21)19(24)23-16-7-3-5-12-6-4-8-22-17(12)16/h3-8,10-11H,2,9H2,1H3,(H,23,24)
InChIKeyNQSUWVMPEDYBEO-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.58
Rot. Bonds5

About 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide

3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide (PubChem CID 39867044) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
PubChem CID39867044
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-2-9-25-18-14(20)10-13(11-15(18)21)19(24)23-16-7-3-5-12-6-4-8-22-17(12)16/h3-8,10-11H,2,9H2,1H3,(H,23,24)
InChIKeyNQSUWVMPEDYBEO-UHFFFAOYSA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614
6-(dipropylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109161849
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide (CID 39867044) is 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cccc3cccnc23)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide?
The InChIKey is NQSUWVMPEDYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-2-9-25-18-14(20)10-13(11-15(18)21)19(24)23-16-7-3-5-12-6-4-8-22-17(12)16/h3-8,10-11H,2,9H2,1H3,(H,23,24).
What are the key properties of 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide?
3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide has a molecular weight of 375.26 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 39867044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).