N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide

C21H17BrN6O — CID 69016554

IUPACN-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cn1
InChIInChI=1S/C21H17BrN6O/c1-12(29)25-19-8-6-14(11-24-19)13-5-7-18-17(9-13)20(28-21(23)27-18)26-16-4-2-3-15(22)10-16/h2-11H,1H3,(H,24,25,29)(H3,23,26,27,28)
InChIKeyOGZJCEUUPFYUCM-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.74
Rot. Bonds4

About N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide

N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide (PubChem CID 69016554) has the molecular formula C21H17BrN6O and a molecular weight of 449.31 g/mol. Its IUPAC name is N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide
PubChem CID69016554
Molecular FormulaC21H17BrN6O
Molecular Weight449.31 g/mol
Exact Mass448.06
IUPAC NameN-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cn1
InChIInChI=1S/C21H17BrN6O/c1-12(29)25-19-8-6-14(11-24-19)13-5-7-18-17(9-13)20(28-21(23)27-18)26-16-4-2-3-15(22)10-16/h2-11H,1H3,(H,24,25,29)(H3,23,26,27,28)
InChIKeyOGZJCEUUPFYUCM-UHFFFAOYSA-N
XLogP4.74
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide (CID 69016554) is N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cn1.
What is the InChIKey of N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is OGZJCEUUPFYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN6O/c1-12(29)25-19-8-6-14(11-24-19)13-5-7-18-17(9-13)20(28-21(23)27-18)26-16-4-2-3-15(22)10-16/h2-11H,1H3,(H,24,25,29)(H3,23,26,27,28).
What are the key properties of N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide?
N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 449.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 69016554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).