7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline

C17H22ClNO — CID 138975057

IUPAC7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline
SMILESCCCc1nc(C)c2cc(Cl)c(OC)cc2c1CCC
InChIInChI=1S/C17H22ClNO/c1-5-7-12-14-10-17(20-4)15(18)9-13(14)11(3)19-16(12)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLKYUFVBNIVPHQF-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.11
Rot. Bonds5

About 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline

7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline (PubChem CID 138975057) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline
PubChem CID138975057
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline
SMILESCCCc1nc(C)c2cc(Cl)c(OC)cc2c1CCC
InChIInChI=1S/C17H22ClNO/c1-5-7-12-14-10-17(20-4)15(18)9-13(14)11(3)19-16(12)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLKYUFVBNIVPHQF-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3,4-dipropylisoquinoline
CID 44606949
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
6-chloro-N,2-diethyl-7-methoxy-3-methylquinolin-4-amine
CID 107623092
3-ethyl-1-methyl-4-propylisoquinoline
CID 153439364
6-chloro-7-methoxy-2-methyl-N-propylquinolin-4-amine
CID 107623108
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
7-chloro-6-methoxy-3-pentylisochromen-1-one
CID 102481689
CID 88950552
CID 88950552
6,7-dimethoxy-4-propylquinazoline
CID 4077807
4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene
CID 121221215

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline?
The IUPAC name of 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline (CID 138975057) is 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline.
What is the SMILES notation for 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline?
The canonical SMILES for 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline is CCCc1nc(C)c2cc(Cl)c(OC)cc2c1CCC.
What is the InChIKey of 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline?
The InChIKey is LKYUFVBNIVPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-5-7-12-14-10-17(20-4)15(18)9-13(14)11(3)19-16(12)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline?
7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline has a molecular weight of 291.82 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline is sourced from PubChem (CID 138975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).