6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride

C19H20Cl2N2O — CID 44655939

IUPAC6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride
SMILESCCCOc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1.[Cl-]
InChIInChI=1S/C19H19ClN2O.ClH/c1-3-10-23-16-7-5-15(6-8-16)22-19-11-13(2)21-18-9-4-14(20)12-17(18)19;/h4-9,11-12H,3,10H2,1-2H3,(H,21,22);1H
InChIKeyDMROXSPEJGIDJX-UHFFFAOYSA-N
MW363.29 g/mol
LogP2.15
Rot. Bonds5

About 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride

6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride (PubChem CID 44655939) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride
PubChem CID44655939
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride
SMILESCCCOc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1.[Cl-]
InChIInChI=1S/C19H19ClN2O.ClH/c1-3-10-23-16-7-5-15(6-8-16)22-19-11-13(2)21-18-9-4-14(20)12-17(18)19;/h4-9,11-12H,3,10H2,1-2H3,(H,21,22);1H
InChIKeyDMROXSPEJGIDJX-UHFFFAOYSA-N
XLogP2.15
TPSA35.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
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CID 54806067
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
2-chloro-6-propoxynaphthalene
CID 125116367
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
N-(4-butoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808319
5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline
CID 102055883
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
4-chloro-6-(4-propoxyanilino)pyrimidine-5-carbaldehyde
CID 66368396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride?
The IUPAC name of 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride (CID 44655939) is 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride.
What is the SMILES notation for 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride?
The canonical SMILES for 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride is CCCOc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1.[Cl-].
What is the InChIKey of 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride?
The InChIKey is DMROXSPEJGIDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O.ClH/c1-3-10-23-16-7-5-15(6-8-16)22-19-11-13(2)21-18-9-4-14(20)12-17(18)19;/h4-9,11-12H,3,10H2,1-2H3,(H,21,22);1H.
What are the key properties of 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride?
6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride has a molecular weight of 363.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride is sourced from PubChem (CID 44655939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).