1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone

C23H17ClN4O3 — CID 3355604

IUPAC1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C23H17ClN4O3/c24-16-9-7-15(8-10-16)19-12-20(21-6-3-11-30-21)28(27-19)22(29)13-31-23-17-4-1-2-5-18(17)25-14-26-23/h1-11,14,20H,12-13H2
InChIKeyPIMUZDPXAAHQLU-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.63
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone

1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 3355604) has the molecular formula C23H17ClN4O3 and a molecular weight of 432.87 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone
PubChem CID3355604
Molecular FormulaC23H17ClN4O3
Molecular Weight432.87 g/mol
Exact Mass432.10
IUPAC Name1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C23H17ClN4O3/c24-16-9-7-15(8-10-16)19-12-20(21-6-3-11-30-21)28(27-19)22(29)13-31-23-17-4-1-2-5-18(17)25-14-26-23/h1-11,14,20H,12-13H2
InChIKeyPIMUZDPXAAHQLU-UHFFFAOYSA-N
XLogP4.63
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone
CID 7777998
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)oxyethanone
CID 9354857
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4273295
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylphenoxy)ethanone
CID 7788818
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethanone
CID 4125942
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethanone
CID 25399663
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3791502
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxybenzoate
CID 16540321
[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 25378466
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methylbut-2-enoate
CID 18273285
[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 41124222
[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 41169406

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone (CID 3355604) is 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is PIMUZDPXAAHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3/c24-16-9-7-15(8-10-16)19-12-20(21-6-3-11-30-21)28(27-19)22(29)13-31-23-17-4-1-2-5-18(17)25-14-26-23/h1-11,14,20H,12-13H2.
What are the key properties of 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone?
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 432.87 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 3355604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).