2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide

C19H15FN6O — CID 122445016

IUPAC2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1
InChIInChI=1S/C19H15FN6O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(27)22-11-12-5-1-2-8-15(12)26-10-4-9-23-26/h1-10H,11H2,(H,22,27)(H2,21,24,25)
InChIKeySYOBOQUGDGVGIV-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide (PubChem CID 122445016) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide
PubChem CID122445016
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1
InChIInChI=1S/C19H15FN6O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(27)22-11-12-5-1-2-8-15(12)26-10-4-9-23-26/h1-10H,11H2,(H,22,27)(H2,21,24,25)
InChIKeySYOBOQUGDGVGIV-UHFFFAOYSA-N
XLogP2.47
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-Quinolin-3-yl-3-tetrazol-1-yl-benzamide
CID 651603
Takeda103A
CID 11155477
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911003
6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline
CID 24808514
1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 21
CID 44232693
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 19
CID 44235884
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 1
CID 44236351
Pyrimidine-4-carboxamide, 59
CID 44520943
Pyrimidine-4-carboxamide, 61
CID 44520944

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide (CID 122445016) is 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1.
What is the InChIKey of 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide?
The InChIKey is SYOBOQUGDGVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(27)22-11-12-5-1-2-8-15(12)26-10-4-9-23-26/h1-10H,11H2,(H,22,27)(H2,21,24,25).
What are the key properties of 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122445016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).