5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine

C12H13ClN2O2 — CID 62318416

IUPAC5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(Cl)ccc(OC)c2n1
InChIInChI=1S/C12H13ClN2O2/c1-16-6-7-5-9(14)11-8(13)3-4-10(17-2)12(11)15-7/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyMKLRZXZFYASLEB-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.63
Rot. Bonds3

About 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine

5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine (PubChem CID 62318416) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
PubChem CID62318416
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(Cl)ccc(OC)c2n1
InChIInChI=1S/C12H13ClN2O2/c1-16-6-7-5-9(14)11-8(13)3-4-10(17-2)12(11)15-7/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyMKLRZXZFYASLEB-UHFFFAOYSA-N
XLogP2.63
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62319205
8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107531286
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
5-bromo-8-methoxy-2-propylquinolin-4-amine
CID 55211682
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320818
8-methoxy-2,5-dimethylquinolin-4-amine
CID 62202032
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
CID 82575794
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
4,5-dichloro-8-methoxyquinoline
CID 43531957
5-bromo-8-methoxy-2-methylquinolin-4-amine
CID 62196790
2-(methoxymethyl)-8-propoxyquinolin-4-amine
CID 62318793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine (CID 62318416) is 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine is COCc1cc(N)c2c(Cl)ccc(OC)c2n1.
What is the InChIKey of 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is MKLRZXZFYASLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-16-6-7-5-9(14)11-8(13)3-4-10(17-2)12(11)15-7/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine?
5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 62318416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).