2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C22H17FN4O2 — CID 172970558

IUPAC2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnn(-c3ccc(F)cc3)c2)N1Cc1ccco1
InChIInChI=1S/C22H17FN4O2/c23-16-7-9-17(10-8-16)27-13-15(12-24-27)21-25-20-6-2-1-5-19(20)22(28)26(21)14-18-4-3-11-29-18/h1-13,21,25H,14H2
InChIKeyVHYWVHAGMCMBBY-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.37
Rot. Bonds4

About 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 172970558) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID172970558
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnn(-c3ccc(F)cc3)c2)N1Cc1ccco1
InChIInChI=1S/C22H17FN4O2/c23-16-7-9-17(10-8-16)27-13-15(12-24-27)21-25-20-6-2-1-5-19(20)22(28)26(21)14-18-4-3-11-29-18/h1-13,21,25H,14H2
InChIKeyVHYWVHAGMCMBBY-UHFFFAOYSA-N
XLogP4.37
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
1-[4-(Cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-2-furamide
CID 2213981
2-(furan-2-yl)-3-{[(E)-furan-2-ylmethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
CID 9567317
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
Tert-butyl 4-[1-(2,4-difluorophenyl)-4-(furan-2-ylmethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023978
Tert-butyl 4-[4-(furan-2-ylmethylcarbamoyl)-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024120
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
[4-[3-(4-Fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16322920
6-(2-furyl)-1-(2-methylphenyl)-5-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9550120
6-(Furan-2-YL)-1-(2-methylphenyl)-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990610

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 172970558) is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cnn(-c3ccc(F)cc3)c2)N1Cc1ccco1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VHYWVHAGMCMBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-7-9-17(10-8-16)27-13-15(12-24-27)21-25-20-6-2-1-5-19(20)22(28)26(21)14-18-4-3-11-29-18/h1-13,21,25H,14H2.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 172970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).