7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine

C15H15ClN4O — CID 171506611

IUPAC7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine
SMILESCOc1cc2c(-n3ccnc3)cc(N(C)C)nc2cc1Cl
InChIInChI=1S/C15H15ClN4O/c1-19(2)15-8-13(20-5-4-17-9-20)10-6-14(21-3)11(16)7-12(10)18-15/h4-9H,1-3H3
InChIKeyCIFNTSXCKZTZDD-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.15
Rot. Bonds3

About 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine

7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine (PubChem CID 171506611) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine
PubChem CID171506611
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine
SMILESCOc1cc2c(-n3ccnc3)cc(N(C)C)nc2cc1Cl
InChIInChI=1S/C15H15ClN4O/c1-19(2)15-8-13(20-5-4-17-9-20)10-6-14(21-3)11(16)7-12(10)18-15/h4-9H,1-3H3
InChIKeyCIFNTSXCKZTZDD-UHFFFAOYSA-N
XLogP3.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine?
The IUPAC name of 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine (CID 171506611) is 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine is COc1cc2c(-n3ccnc3)cc(N(C)C)nc2cc1Cl.
What is the InChIKey of 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine?
The InChIKey is CIFNTSXCKZTZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-19(2)15-8-13(20-5-4-17-9-20)10-6-14(21-3)11(16)7-12(10)18-15/h4-9H,1-3H3.
What are the key properties of 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine?
7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine has a molecular weight of 302.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 171506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).