2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol

C22H25N5O4 — CID 142432781

IUPAC2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-n4ccc(CCO)n4)o3)c2cc1OC
InChIInChI=1S/C22H25N5O4/c1-13(18-5-6-21(31-18)27-9-7-15(26-27)8-10-28)23-22-16-11-19(29-3)20(30-4)12-17(16)24-14(2)25-22/h5-7,9,11-13,28H,8,10H2,1-4H3,(H,23,24,25)
InChIKeyGGGIKLLCCRIPFJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.44
Rot. Bonds8

About 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol

2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol (PubChem CID 142432781) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol
PubChem CID142432781
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-n4ccc(CCO)n4)o3)c2cc1OC
InChIInChI=1S/C22H25N5O4/c1-13(18-5-6-21(31-18)27-9-7-15(26-27)8-10-28)23-22-16-11-19(29-3)20(30-4)12-17(16)24-14(2)25-22/h5-7,9,11-13,28H,8,10H2,1-4H3,(H,23,24,25)
InChIKeyGGGIKLLCCRIPFJ-UHFFFAOYSA-N
XLogP3.44
TPSA107.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol?
The IUPAC name of 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol (CID 142432781) is 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol is COc1cc2nc(C)nc(NC(C)c3ccc(-n4ccc(CCO)n4)o3)c2cc1OC.
What is the InChIKey of 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol?
The InChIKey is GGGIKLLCCRIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13(18-5-6-21(31-18)27-9-7-15(26-27)8-10-28)23-22-16-11-19(29-3)20(30-4)12-17(16)24-14(2)25-22/h5-7,9,11-13,28H,8,10H2,1-4H3,(H,23,24,25).
What are the key properties of 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol?
2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol has a molecular weight of 423.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]furan-2-yl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 142432781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).