2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline

C19H14F4N4 — CID 141278091

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline
SMILESCc1cc(N2c3cc(F)ccc3C=NC2C(F)(F)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H14F4N4/c1-11-8-17(26-25-11)27-16-9-15(21)5-2-12(16)10-24-18(27)19(22,23)13-3-6-14(20)7-4-13/h2-10,18H,1H3,(H,25,26)
InChIKeySSONPBBWMOQGCF-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.69
Rot. Bonds3

About 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline

2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline (PubChem CID 141278091) has the molecular formula C19H14F4N4 and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline
PubChem CID141278091
Molecular FormulaC19H14F4N4
Molecular Weight374.34 g/mol
Exact Mass374.12
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline
SMILESCc1cc(N2c3cc(F)ccc3C=NC2C(F)(F)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H14F4N4/c1-11-8-17(26-25-11)27-16-9-15(21)5-2-12(16)10-24-18(27)19(22,23)13-3-6-14(20)7-4-13/h2-10,18H,1H3,(H,25,26)
InChIKeySSONPBBWMOQGCF-UHFFFAOYSA-N
XLogP4.69
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6905031
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CID 10735344
7-Fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
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3-Methyl-5-phenyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine
CID 136002530
7-Fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002531
5-(2-Fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002667
6-fluoro-N-[(4-fluorophenyl)methyl]-1H-indazol-3-amine
CID 164610577
Enamine_003621
CID 2303645
5-Methyl-3-[methyl-(4-trifluoromethyl-phenyl)-amino]-1H-pyrazole-4-carbonitrile
CID 10516844
(5-Methyl-4-phenyl-1H-pyrazol-3-yl)-(4-trifluoromethyl-phenyl)-amine
CID 10805428
3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)-1H-pyrazol-5-amine
CID 44411236
4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline (CID 141278091) is 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline is Cc1cc(N2c3cc(F)ccc3C=NC2C(F)(F)c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline?
The InChIKey is SSONPBBWMOQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4/c1-11-8-17(26-25-11)27-16-9-15(21)5-2-12(16)10-24-18(27)19(22,23)13-3-6-14(20)7-4-13/h2-10,18H,1H3,(H,25,26).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline?
2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline has a molecular weight of 374.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoro-1-(5-methyl-1H-pyrazol-3-yl)-2H-quinazoline is sourced from PubChem (CID 141278091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).