5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine

C14H17ClN2O2 — CID 63232536

IUPAC5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
SMILESCOc1cc(OC)c2nc(N)c(C(C)C)cc2c1Cl
InChIInChI=1S/C14H17ClN2O2/c1-7(2)8-5-9-12(15)10(18-3)6-11(19-4)13(9)17-14(8)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyHVPFFYNUVUAXDY-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine

5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine (PubChem CID 63232536) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
PubChem CID63232536
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
SMILESCOc1cc(OC)c2nc(N)c(C(C)C)cc2c1Cl
InChIInChI=1S/C14H17ClN2O2/c1-7(2)8-5-9-12(15)10(18-3)6-11(19-4)13(9)17-14(8)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyHVPFFYNUVUAXDY-UHFFFAOYSA-N
XLogP3.61
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine (CID 63232536) is 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine is COc1cc(OC)c2nc(N)c(C(C)C)cc2c1Cl.
What is the InChIKey of 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The InChIKey is HVPFFYNUVUAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-7(2)8-5-9-12(15)10(18-3)6-11(19-4)13(9)17-14(8)16/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine has a molecular weight of 280.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).