2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine

C21H17ClFN3O — CID 67173222

IUPAC2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine
SMILESCOc1cccnc1C1(N)C=C(c2cc(Cl)ccc2F)Nc2ccccc21
InChIInChI=1S/C21H17ClFN3O/c1-27-19-7-4-10-25-20(19)21(24)12-18(14-11-13(22)8-9-16(14)23)26-17-6-3-2-5-15(17)21/h2-12,26H,24H2,1H3
InChIKeyDYBRLIZMQYIITI-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.55
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine

2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine (PubChem CID 67173222) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine
PubChem CID67173222
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine
SMILESCOc1cccnc1C1(N)C=C(c2cc(Cl)ccc2F)Nc2ccccc21
InChIInChI=1S/C21H17ClFN3O/c1-27-19-7-4-10-25-20(19)21(24)12-18(14-11-13(22)8-9-16(14)23)26-17-6-3-2-5-15(17)21/h2-12,26H,24H2,1H3
InChIKeyDYBRLIZMQYIITI-UHFFFAOYSA-N
XLogP4.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine (CID 67173222) is 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine is COc1cccnc1C1(N)C=C(c2cc(Cl)ccc2F)Nc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine?
The InChIKey is DYBRLIZMQYIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c1-27-19-7-4-10-25-20(19)21(24)12-18(14-11-13(22)8-9-16(14)23)26-17-6-3-2-5-15(17)21/h2-12,26H,24H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine has a molecular weight of 381.84 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine is sourced from PubChem (CID 67173222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).