6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine

C17H22ClN3 — CID 156547946

IUPAC6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine
SMILESC=CN(CC)c1cc2nc(C)nc(Cl)c2cc1C(C)(C)C
InChIInChI=1S/C17H22ClN3/c1-7-21(8-2)15-10-14-12(9-13(15)17(4,5)6)16(18)20-11(3)19-14/h7,9-10H,1,8H2,2-6H3
InChIKeyDZWDMHIWHIKIMW-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.86
Rot. Bonds3

About 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine

6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine (PubChem CID 156547946) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine.

Molecular Properties

Compound Name6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine
PubChem CID156547946
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine
SMILESC=CN(CC)c1cc2nc(C)nc(Cl)c2cc1C(C)(C)C
InChIInChI=1S/C17H22ClN3/c1-7-21(8-2)15-10-14-12(9-13(15)17(4,5)6)16(18)20-11(3)19-14/h7,9-10H,1,8H2,2-6H3
InChIKeyDZWDMHIWHIKIMW-UHFFFAOYSA-N
XLogP4.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine?
The IUPAC name of 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine (CID 156547946) is 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine.
What is the SMILES notation for 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine?
The canonical SMILES for 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine is C=CN(CC)c1cc2nc(C)nc(Cl)c2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine?
The InChIKey is DZWDMHIWHIKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-7-21(8-2)15-10-14-12(9-13(15)17(4,5)6)16(18)20-11(3)19-14/h7,9-10H,1,8H2,2-6H3.
What are the key properties of 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine?
6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine has a molecular weight of 303.84 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloro-N-ethenyl-N-ethyl-2-methylquinazolin-7-amine is sourced from PubChem (CID 156547946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).