2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide

C26H24ClN7O2 — CID 129165976

IUPAC2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2nc(NCc3cccc(Cl)c3)c3cc(-c4c(C)noc4C)ccc3n2)cn1
InChIInChI=1S/C26H24ClN7O2/c1-15-24(16(2)36-33-15)18-7-8-22-21(10-18)26(29-11-17-5-4-6-20(27)9-17)32-25(31-22)19-12-30-34(13-19)14-23(35)28-3/h4-10,12-13H,11,14H2,1-3H3,(H,28,35)(H,29,31,32)
InChIKeyWWCBQZLFJZALLX-UHFFFAOYSA-N
MW501.98 g/mol
LogP4.78
Rot. Bonds7

About 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 129165976) has the molecular formula C26H24ClN7O2 and a molecular weight of 501.98 g/mol. Its IUPAC name is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID129165976
Molecular FormulaC26H24ClN7O2
Molecular Weight501.98 g/mol
Exact Mass501.17
IUPAC Name2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2nc(NCc3cccc(Cl)c3)c3cc(-c4c(C)noc4C)ccc3n2)cn1
InChIInChI=1S/C26H24ClN7O2/c1-15-24(16(2)36-33-15)18-7-8-22-21(10-18)26(29-11-17-5-4-6-20(27)9-17)32-25(31-22)19-12-30-34(13-19)14-23(35)28-3/h4-10,12-13H,11,14H2,1-3H3,(H,28,35)(H,29,31,32)
InChIKeyWWCBQZLFJZALLX-UHFFFAOYSA-N
XLogP4.78
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.98
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884001
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 129165687
[4-[(3-Chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 129165693
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129165694
4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
CID 129165729
N-[1-(3-chlorophenyl)ethyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165750
N-[(2-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165757
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
CID 129165774
1-[(3S)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-4-yl]-3-phenylpiperazin-1-yl]ethanone
CID 129165784
2-[4-[4-[(3-Chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
N-[(5-chloro-3-pyridinyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165795

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide (CID 129165976) is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2nc(NCc3cccc(Cl)c3)c3cc(-c4c(C)noc4C)ccc3n2)cn1.
What is the InChIKey of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is WWCBQZLFJZALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c1-15-24(16(2)36-33-15)18-7-8-22-21(10-18)26(29-11-17-5-4-6-20(27)9-17)32-25(31-22)19-12-30-34(13-19)14-23(35)28-3/h4-10,12-13H,11,14H2,1-3H3,(H,28,35)(H,29,31,32).
What are the key properties of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 501.98 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 129165976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).