N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide

C19H14F2N6O2 — CID 174649264

IUPACN-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(F)c1-n1cc(Nc2ncnc3cc(O)c(F)cc23)cn1
InChIInChI=1S/C19H14F2N6O2/c1-10(28)25-15-4-2-3-13(20)18(15)27-8-11(7-24-27)26-19-12-5-14(21)17(29)6-16(12)22-9-23-19/h2-9,29H,1H3,(H,25,28)(H,22,23,26)
InChIKeyYFQSPIOUVIRPBE-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.50
Rot. Bonds4

About N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide

N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide (PubChem CID 174649264) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide
PubChem CID174649264
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(F)c1-n1cc(Nc2ncnc3cc(O)c(F)cc23)cn1
InChIInChI=1S/C19H14F2N6O2/c1-10(28)25-15-4-2-3-13(20)18(15)27-8-11(7-24-27)26-19-12-5-14(21)17(29)6-16(12)22-9-23-19/h2-9,29H,1H3,(H,25,28)(H,22,23,26)
InChIKeyYFQSPIOUVIRPBE-UHFFFAOYSA-N
XLogP3.50
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
CID 19001462
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
2-[4-[[7-(3-chloropropoxy)-6-fluoroquinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 11178946
2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 87526474
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
CID 154455652
N-(2,3-difluorophenyl)-2-[4-[[7-[3-[2-hydroxyethyl(methyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261689
N-(2,3-difluorophenyl)-2-[4-[[7-[3-(1,2-dihydroxypropylamino)propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 91592583
N-[4-(3-chloro-4-fluoroanilino)-7-(3-chloropropoxy)quinazolin-6-yl]acetamide
CID 90322885
N-(2,3-difluorophenyl)-2-[4-[[7-[3-(prop-2-ynylamino)propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 87783685
N-(2,3-difluorophenyl)-2-[4-[[6-methoxy-7-[3-[methyl(2-methylpropyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261873
N-(2,3-difluorophenyl)-2-[4-[[6-methoxy-7-[3-[methyl(prop-2-ynyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 87329094
N-(2,3-difluorophenyl)-2-[4-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261491

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide (CID 174649264) is N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(F)c1-n1cc(Nc2ncnc3cc(O)c(F)cc23)cn1.
What is the InChIKey of N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide?
The InChIKey is YFQSPIOUVIRPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c1-10(28)25-15-4-2-3-13(20)18(15)27-8-11(7-24-27)26-19-12-5-14(21)17(29)6-16(12)22-9-23-19/h2-9,29H,1H3,(H,25,28)(H,22,23,26).
What are the key properties of N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide?
N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide has a molecular weight of 396.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 174649264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).