7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane

C15H18BrClFN3 — CID 176976685

IUPAC7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane
SMILESCC.Cc1cc2c(N(C)C3CC3)nc(Cl)nc2c(F)c1Br
InChIInChI=1S/C13H12BrClFN3.C2H6/c1-6-5-8-11(10(16)9(6)14)17-13(15)18-12(8)19(2)7-3-4-7;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyPJUPSYOPAJTGDX-UHFFFAOYSA-N
MW374.69 g/mol
LogP5.12
Rot. Bonds2

About 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane

7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane (PubChem CID 176976685) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane.

Molecular Properties

Compound Name7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane
PubChem CID176976685
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC Name7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane
SMILESCC.Cc1cc2c(N(C)C3CC3)nc(Cl)nc2c(F)c1Br
InChIInChI=1S/C13H12BrClFN3.C2H6/c1-6-5-8-11(10(16)9(6)14)17-13(15)18-12(8)19(2)7-3-4-7;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyPJUPSYOPAJTGDX-UHFFFAOYSA-N
XLogP5.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.69
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane?
The IUPAC name of 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane (CID 176976685) is 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane.
What is the SMILES notation for 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane?
The canonical SMILES for 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane is CC.Cc1cc2c(N(C)C3CC3)nc(Cl)nc2c(F)c1Br.
What is the InChIKey of 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane?
The InChIKey is PJUPSYOPAJTGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3.C2H6/c1-6-5-8-11(10(16)9(6)14)17-13(15)18-12(8)19(2)7-3-4-7;1-2/h5,7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane?
7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane has a molecular weight of 374.69 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane is sourced from PubChem (CID 176976685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).