2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine

C16H12ClN3 — CID 17412554

IUPAC2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine
SMILESNc1nc(/C(Cl)=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12ClN3/c17-13(10-11-6-2-1-3-7-11)16-19-14-9-5-4-8-12(14)15(18)20-16/h1-10H,(H2,18,19,20)/b13-10-
InChIKeyYUFQDYKZUQPNSH-RAXLEYEMSA-N
MW281.75 g/mol
LogP3.95
Rot. Bonds2

About 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine

2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine (PubChem CID 17412554) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine
PubChem CID17412554
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine
SMILESNc1nc(/C(Cl)=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12ClN3/c17-13(10-11-6-2-1-3-7-11)16-19-14-9-5-4-8-12(14)15(18)20-16/h1-10H,(H2,18,19,20)/b13-10-
InChIKeyYUFQDYKZUQPNSH-RAXLEYEMSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine?
The IUPAC name of 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine (CID 17412554) is 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine?
The canonical SMILES for 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine is Nc1nc(/C(Cl)=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine?
The InChIKey is YUFQDYKZUQPNSH-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-13(10-11-6-2-1-3-7-11)16-19-14-9-5-4-8-12(14)15(18)20-16/h1-10H,(H2,18,19,20)/b13-10-.
What are the key properties of 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine?
2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine is sourced from PubChem (CID 17412554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).