7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine

C24H19F6N5O — CID 58645721

IUPAC7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine
SMILESCCCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ccc(-c3nc(OC)ccc3C(F)(F)F)cc2n1
InChIInChI=1S/C24H19F6N5O/c1-3-4-15-10-19(34-22-31-11-14(12-32-22)23(25,26)27)16-6-5-13(9-18(16)33-15)21-17(24(28,29)30)7-8-20(35-21)36-2/h5-12H,3-4H2,1-2H3,(H,31,32,33,34)
InChIKeyMQTRJZLBKNZIFT-UHFFFAOYSA-N
MW507.44 g/mol
LogP6.83
Rot. Bonds6

About 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine

7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine (PubChem CID 58645721) has the molecular formula C24H19F6N5O and a molecular weight of 507.44 g/mol. Its IUPAC name is 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine
PubChem CID58645721
Molecular FormulaC24H19F6N5O
Molecular Weight507.44 g/mol
Exact Mass507.15
IUPAC Name7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine
SMILESCCCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ccc(-c3nc(OC)ccc3C(F)(F)F)cc2n1
InChIInChI=1S/C24H19F6N5O/c1-3-4-15-10-19(34-22-31-11-14(12-32-22)23(25,26)27)16-6-5-13(9-18(16)33-15)21-17(24(28,29)30)7-8-20(35-21)36-2/h5-12H,3-4H2,1-2H3,(H,31,32,33,34)
InChIKeyMQTRJZLBKNZIFT-UHFFFAOYSA-N
XLogP6.83
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine?
The IUPAC name of 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine (CID 58645721) is 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine.
What is the SMILES notation for 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine?
The canonical SMILES for 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine is CCCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ccc(-c3nc(OC)ccc3C(F)(F)F)cc2n1.
What is the InChIKey of 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine?
The InChIKey is MQTRJZLBKNZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O/c1-3-4-15-10-19(34-22-31-11-14(12-32-22)23(25,26)27)16-6-5-13(9-18(16)33-15)21-17(24(28,29)30)7-8-20(35-21)36-2/h5-12H,3-4H2,1-2H3,(H,31,32,33,34).
What are the key properties of 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine?
7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine has a molecular weight of 507.44 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]-2-propyl-N-[5-(trifluoromethyl)pyrimidin-2-yl]quinolin-4-amine is sourced from PubChem (CID 58645721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).