N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C19H11ClF3N5 — CID 10237684

IUPACN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)ncnc2c1
InChIInChI=1S/C19H11ClF3N5/c20-12-4-6-16(25-9-12)28-18-13-5-3-11(8-15(13)26-10-27-18)17-14(19(21,22)23)2-1-7-24-17/h1-10H,(H,25,26,27,28)
InChIKeyNOTXADDUUJHIKU-UHFFFAOYSA-N
MW401.78 g/mol
LogP5.50
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 10237684) has the molecular formula C19H11ClF3N5 and a molecular weight of 401.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID10237684
Molecular FormulaC19H11ClF3N5
Molecular Weight401.78 g/mol
Exact Mass401.07
IUPAC NameN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)ncnc2c1
InChIInChI=1S/C19H11ClF3N5/c20-12-4-6-16(25-9-12)28-18-13-5-3-11(8-15(13)26-10-27-18)17-14(19(21,22)23)2-1-7-24-17/h1-10H,(H,25,26,27,28)
InChIKeyNOTXADDUUJHIKU-UHFFFAOYSA-N
XLogP5.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 10237684) is N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is FC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)ncnc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is NOTXADDUUJHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5/c20-12-4-6-16(25-9-12)28-18-13-5-3-11(8-15(13)26-10-27-18)17-14(19(21,22)23)2-1-7-24-17/h1-10H,(H,25,26,27,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 401.78 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 10237684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).