N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide

C17H15BrN4O — CID 4709

IUPACN-[4-(3-bromoanilino)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyWUPUZEMRHDROEO-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.48
Rot. Bonds4

About N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide

N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide (PubChem CID 4709) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)quinazolin-6-yl]propanamide
PubChem CID4709
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC NameN-[4-(3-bromoanilino)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyWUPUZEMRHDROEO-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide?
The IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide (CID 4709) is N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide?
The canonical SMILES for N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide is CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide?
The InChIKey is WUPUZEMRHDROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide?
N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide has a molecular weight of 371.24 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide is sourced from PubChem (CID 4709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).