7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine

C19H16ClN5 — CID 133361537

IUPAC7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2cc(Cl)ccc12)c1ccccc1-n1cccn1
InChIInChI=1S/C19H16ClN5/c1-13(15-5-2-3-6-18(15)25-10-4-9-23-25)24-19-16-8-7-14(20)11-17(16)21-12-22-19/h2-13H,1H3,(H,21,22,24)
InChIKeyYASFWZASABUJQX-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.64
Rot. Bonds4

About 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine

7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine (PubChem CID 133361537) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
PubChem CID133361537
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2cc(Cl)ccc12)c1ccccc1-n1cccn1
InChIInChI=1S/C19H16ClN5/c1-13(15-5-2-3-6-18(15)25-10-4-9-23-25)24-19-16-8-7-14(20)11-17(16)21-12-22-19/h2-13H,1H3,(H,21,22,24)
InChIKeyYASFWZASABUJQX-UHFFFAOYSA-N
XLogP4.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine (CID 133361537) is 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine is CC(Nc1ncnc2cc(Cl)ccc12)c1ccccc1-n1cccn1.
What is the InChIKey of 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is YASFWZASABUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-13(15-5-2-3-6-18(15)25-10-4-9-23-25)24-19-16-8-7-14(20)11-17(16)21-12-22-19/h2-13H,1H3,(H,21,22,24).
What are the key properties of 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine?
7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 349.83 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133361537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).