7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

C21H14ClF3N4 — CID 58645723

IUPAC7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESCc1ccc(Cl)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)n1
InChIInChI=1S/C21H14ClF3N4/c1-12-2-6-16(22)20(28-12)13-3-5-15-17(8-9-26-18(15)10-13)29-19-7-4-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29)
InChIKeySURPBNYHODZJII-UHFFFAOYSA-N
MW414.82 g/mol
LogP6.42
Rot. Bonds3

About 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (PubChem CID 58645723) has the molecular formula C21H14ClF3N4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
PubChem CID58645723
Molecular FormulaC21H14ClF3N4
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESCc1ccc(Cl)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)n1
InChIInChI=1S/C21H14ClF3N4/c1-12-2-6-16(22)20(28-12)13-3-5-15-17(8-9-26-18(15)10-13)29-19-7-4-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29)
InChIKeySURPBNYHODZJII-UHFFFAOYSA-N
XLogP6.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (CID 58645723) is 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is Cc1ccc(Cl)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)n1.
What is the InChIKey of 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The InChIKey is SURPBNYHODZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4/c1-12-2-6-16(22)20(28-12)13-3-5-15-17(8-9-26-18(15)10-13)29-19-7-4-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29).
What are the key properties of 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine has a molecular weight of 414.82 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-6-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 58645723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).