N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide

C19H19BrFN5O — CID 59325255

IUPACN-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CN(C)C)cc(Nc2ncc3cc(Br)cc(F)c3n2)c1
InChIInChI=1S/C19H19BrFN5O/c1-11(27)23-15-4-12(10-26(2)3)5-16(8-15)24-19-22-9-13-6-14(20)7-17(21)18(13)25-19/h4-9H,10H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyCZWJIZJHYDENCD-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.30
Rot. Bonds5

About N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide

N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide (PubChem CID 59325255) has the molecular formula C19H19BrFN5O and a molecular weight of 432.30 g/mol. Its IUPAC name is N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide
PubChem CID59325255
Molecular FormulaC19H19BrFN5O
Molecular Weight432.30 g/mol
Exact Mass431.08
IUPAC NameN-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CN(C)C)cc(Nc2ncc3cc(Br)cc(F)c3n2)c1
InChIInChI=1S/C19H19BrFN5O/c1-11(27)23-15-4-12(10-26(2)3)5-16(8-15)24-19-22-9-13-6-14(20)7-17(21)18(13)25-19/h4-9H,10H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyCZWJIZJHYDENCD-UHFFFAOYSA-N
XLogP4.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide (CID 59325255) is N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide is CC(=O)Nc1cc(CN(C)C)cc(Nc2ncc3cc(Br)cc(F)c3n2)c1.
What is the InChIKey of N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide?
The InChIKey is CZWJIZJHYDENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN5O/c1-11(27)23-15-4-12(10-26(2)3)5-16(8-15)24-19-22-9-13-6-14(20)7-17(21)18(13)25-19/h4-9H,10H2,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide?
N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide has a molecular weight of 432.30 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromo-8-fluoroquinazolin-2-yl)amino]-5-[(dimethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 59325255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).