6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C19H18ClF3N6 — CID 146624860

IUPAC6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)c(-c2cc3ncnc(N4CCNCC4)c3cc2Cl)n1
InChIInChI=1S/C19H18ClF3N6/c1-24-16-3-2-13(19(21,22)23)17(28-16)11-9-15-12(8-14(11)20)18(27-10-26-15)29-6-4-25-5-7-29/h2-3,8-10,25H,4-7H2,1H3,(H,24,28)
InChIKeyRGDKEXHUGWZGIF-UHFFFAOYSA-N
MW422.84 g/mol
LogP3.82
Rot. Bonds3

About 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine

6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 146624860) has the molecular formula C19H18ClF3N6 and a molecular weight of 422.84 g/mol. Its IUPAC name is 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID146624860
Molecular FormulaC19H18ClF3N6
Molecular Weight422.84 g/mol
Exact Mass422.12
IUPAC Name6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)c(-c2cc3ncnc(N4CCNCC4)c3cc2Cl)n1
InChIInChI=1S/C19H18ClF3N6/c1-24-16-3-2-13(19(21,22)23)17(28-16)11-9-15-12(8-14(11)20)18(27-10-26-15)29-6-4-25-5-7-29/h2-3,8-10,25H,4-7H2,1H3,(H,24,28)
InChIKeyRGDKEXHUGWZGIF-UHFFFAOYSA-N
XLogP3.82
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 146624860) is 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CNc1ccc(C(F)(F)F)c(-c2cc3ncnc(N4CCNCC4)c3cc2Cl)n1.
What is the InChIKey of 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RGDKEXHUGWZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6/c1-24-16-3-2-13(19(21,22)23)17(28-16)11-9-15-12(8-14(11)20)18(27-10-26-15)29-6-4-25-5-7-29/h2-3,8-10,25H,4-7H2,1H3,(H,24,28).
What are the key properties of 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 422.84 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146624860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).