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

C19H17BrFN7O — CID 143712507

IUPACN-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(CC(C)N=[N+]=[N-])cc(Nc2ncc3cc(Br)cc(F)c3n2)c1
InChIInChI=1S/C19H17BrFN7O/c1-10(27-28-22)3-12-4-15(24-11(2)29)8-16(5-12)25-19-23-9-13-6-14(20)7-17(21)18(13)26-19/h4-10H,3H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyFEGVTSVCXKKGHO-UHFFFAOYSA-N
MW458.30 g/mol
LogP5.47
Rot. Bonds6

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

N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 143712507) has the molecular formula C19H17BrFN7O and a molecular weight of 458.30 g/mol. Its IUPAC name is N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID143712507
Molecular FormulaC19H17BrFN7O
Molecular Weight458.30 g/mol
Exact Mass457.07
IUPAC NameN-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(CC(C)N=[N+]=[N-])cc(Nc2ncc3cc(Br)cc(F)c3n2)c1
InChIInChI=1S/C19H17BrFN7O/c1-10(27-28-22)3-12-4-15(24-11(2)29)8-16(5-12)25-19-23-9-13-6-14(20)7-17(21)18(13)26-19/h4-10H,3H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyFEGVTSVCXKKGHO-UHFFFAOYSA-N
XLogP5.47
TPSA115.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.30
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

PD 174265
CID 4709
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(prop-2-en-1-yl)amino]but-2-ynamide
CID 5328959
7-Acetamido-4-[(3-bromophenyl)amino]quinazoline
CID 5328207
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-ynamide
CID 5328954
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-ynamide
CID 5328955
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(propan-2-yl)amino]but-2-ynamide
CID 5328957
4-[bis(propan-2-yl)amino]-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide
CID 5328958
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide
CID 46239453
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dipropylamino)but-2-ynamide
CID 5328956
(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(dimethylamino)prop-2-enamide
CID 5328986
N-[4-(3-Bromo-4-fluoro-phenylamino)-quinazolin-6-yl]-acrylamide
CID 10691590
N-[4-[(3-bromophenyl)methyl]quinazolin-6-yl]prop-2-enamide
CID 44564165

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide (CID 143712507) is N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(CC(C)N=[N+]=[N-])cc(Nc2ncc3cc(Br)cc(F)c3n2)c1.
What is the InChIKey of N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is FEGVTSVCXKKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN7O/c1-10(27-28-22)3-12-4-15(24-11(2)29)8-16(5-12)25-19-23-9-13-6-14(20)7-17(21)18(13)26-19/h4-10H,3H2,1-2H3,(H,24,29)(H,23,25,26).
What are the key properties of N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide?
N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 458.30 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-azidopropyl)-5-[(6-bromo-8-fluoroquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 143712507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).