8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine

C22H23Cl2N3O2 — CID 143607618

IUPAC8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine
SMILESCCOc1cc(Nc2c(Cl)cncc2Cl)c2ccc(C)c(OC3CCCC3)c2n1
InChIInChI=1S/C22H23Cl2N3O2/c1-3-28-19-10-18(26-21-16(23)11-25-12-17(21)24)15-9-8-13(2)22(20(15)27-19)29-14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26,27)
InChIKeyCWQUTXAOHIBETN-UHFFFAOYSA-N
MW432.35 g/mol
LogP6.71
Rot. Bonds6

About 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine

8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine (PubChem CID 143607618) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine.

Molecular Properties

Compound Name8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine
PubChem CID143607618
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine
SMILESCCOc1cc(Nc2c(Cl)cncc2Cl)c2ccc(C)c(OC3CCCC3)c2n1
InChIInChI=1S/C22H23Cl2N3O2/c1-3-28-19-10-18(26-21-16(23)11-25-12-17(21)24)15-9-8-13(2)22(20(15)27-19)29-14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26,27)
InChIKeyCWQUTXAOHIBETN-UHFFFAOYSA-N
XLogP6.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine?
The IUPAC name of 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine (CID 143607618) is 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine.
What is the SMILES notation for 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine?
The canonical SMILES for 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine is CCOc1cc(Nc2c(Cl)cncc2Cl)c2ccc(C)c(OC3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine?
The InChIKey is CWQUTXAOHIBETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-3-28-19-10-18(26-21-16(23)11-25-12-17(21)24)15-9-8-13(2)22(20(15)27-19)29-14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26,27).
What are the key properties of 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine?
8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine has a molecular weight of 432.35 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine is sourced from PubChem (CID 143607618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).