5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine

C18H17Cl2N3O — CID 11667669

IUPAC5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine
SMILESCC(C)Oc1c(Cl)cc(Cl)c2ccc(N(C)c3ccccn3)nc12
InChIInChI=1S/C18H17Cl2N3O/c1-11(2)24-18-14(20)10-13(19)12-7-8-16(22-17(12)18)23(3)15-6-4-5-9-21-15/h4-11H,1-3H3
InChIKeyZQCFQWKRORLCBC-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.49
Rot. Bonds4

About 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine

5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine (PubChem CID 11667669) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine
PubChem CID11667669
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine
SMILESCC(C)Oc1c(Cl)cc(Cl)c2ccc(N(C)c3ccccn3)nc12
InChIInChI=1S/C18H17Cl2N3O/c1-11(2)24-18-14(20)10-13(19)12-7-8-16(22-17(12)18)23(3)15-6-4-5-9-21-15/h4-11H,1-3H3
InChIKeyZQCFQWKRORLCBC-UHFFFAOYSA-N
XLogP5.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine?
The IUPAC name of 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine (CID 11667669) is 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine.
What is the SMILES notation for 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine?
The canonical SMILES for 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine is CC(C)Oc1c(Cl)cc(Cl)c2ccc(N(C)c3ccccn3)nc12.
What is the InChIKey of 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine?
The InChIKey is ZQCFQWKRORLCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-11(2)24-18-14(20)10-13(19)12-7-8-16(22-17(12)18)23(3)15-6-4-5-9-21-15/h4-11H,1-3H3.
What are the key properties of 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine?
5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine has a molecular weight of 362.26 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine is sourced from PubChem (CID 11667669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).