4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline

C15H18ClNO2 — CID 55186942

IUPAC4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
SMILESCOc1ccc(OC)c2c(Cl)c(C(C)C)c(C)nc12
InChIInChI=1S/C15H18ClNO2/c1-8(2)12-9(3)17-15-11(19-5)7-6-10(18-4)13(15)14(12)16/h6-8H,1-5H3
InChIKeyPPCAUXMBIXGZDX-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.34
Rot. Bonds3

About 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline

4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline (PubChem CID 55186942) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
PubChem CID55186942
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
SMILESCOc1ccc(OC)c2c(Cl)c(C(C)C)c(C)nc12
InChIInChI=1S/C15H18ClNO2/c1-8(2)12-9(3)17-15-11(19-5)7-6-10(18-4)13(15)14(12)16/h6-8H,1-5H3
InChIKeyPPCAUXMBIXGZDX-UHFFFAOYSA-N
XLogP4.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 63481445
4,5,8-trichloro-2-methyl-3-propan-2-ylquinoline
CID 55188455
4-chloro-5,6,8-trifluoro-2-methyl-3-propan-2-ylquinoline
CID 63409285
(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
CID 62251551
5-methoxy-2,3,8-trimethylquinoxaline
CID 121009492
6,9-dimethoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 11347765
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
CID 82575794
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
CID 43668703
4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
CID 63744411
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline (CID 55186942) is 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline is COc1ccc(OC)c2c(Cl)c(C(C)C)c(C)nc12.
What is the InChIKey of 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline?
The InChIKey is PPCAUXMBIXGZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-8(2)12-9(3)17-15-11(19-5)7-6-10(18-4)13(15)14(12)16/h6-8H,1-5H3.
What are the key properties of 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline?
4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline has a molecular weight of 279.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 55186942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).