6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine

C18H18BrN3 — CID 5237689

IUPAC6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3/c1-3-22(4-2)18-20-16-11-10-14(19)12-15(16)17(21-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyBIWZWKBHSQRKRK-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.91
Rot. Bonds4

About 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine

6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine (PubChem CID 5237689) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine
PubChem CID5237689
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC Name6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine
SMILESCCN(CC)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3/c1-3-22(4-2)18-20-16-11-10-14(19)12-15(16)17(21-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyBIWZWKBHSQRKRK-UHFFFAOYSA-N
XLogP4.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine (CID 5237689) is 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine is CCN(CC)c1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine?
The InChIKey is BIWZWKBHSQRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c1-3-22(4-2)18-20-16-11-10-14(19)12-15(16)17(21-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine?
6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine has a molecular weight of 356.27 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 5237689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).