4-chloro-N,N-diethylquinazolin-2-amine

C12H14ClN3 — CID 10933458

IUPAC4-chloro-N,N-diethylquinazolin-2-amine
SMILESCCN(CC)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C12H14ClN3/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3
InChIKeyXNRBRDBFLCTQHZ-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-N,N-diethylquinazolin-2-amine

4-chloro-N,N-diethylquinazolin-2-amine (PubChem CID 10933458) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-chloro-N,N-diethylquinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethylquinazolin-2-amine
PubChem CID10933458
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-chloro-N,N-diethylquinazolin-2-amine
SMILESCCN(CC)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C12H14ClN3/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3
InChIKeyXNRBRDBFLCTQHZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethylquinazolin-2-amine?
The IUPAC name of 4-chloro-N,N-diethylquinazolin-2-amine (CID 10933458) is 4-chloro-N,N-diethylquinazolin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethylquinazolin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethylquinazolin-2-amine is CCN(CC)c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N,N-diethylquinazolin-2-amine?
The InChIKey is XNRBRDBFLCTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethylquinazolin-2-amine?
4-chloro-N,N-diethylquinazolin-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethylquinazolin-2-amine is sourced from PubChem (CID 10933458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).