2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline

C25H17ClN4O2 — CID 3488545

IUPAC2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccco4)CC3c3ccco3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C25H17ClN4O2/c26-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)28-25(27-19)30-21(23-9-5-13-32-23)15-20(29-30)22-8-4-12-31-22/h1-14,21H,15H2
InChIKeyRRVNKTFWLQBIOT-UHFFFAOYSA-N
MW440.89 g/mol
LogP6.49
Rot. Bonds4

About 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline

2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline (PubChem CID 3488545) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
PubChem CID3488545
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccco4)CC3c3ccco3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C25H17ClN4O2/c26-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)28-25(27-19)30-21(23-9-5-13-32-23)15-20(29-30)22-8-4-12-31-22/h1-14,21H,15H2
InChIKeyRRVNKTFWLQBIOT-UHFFFAOYSA-N
XLogP6.49
TPSA67.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3426398
6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 41035430
6-chloro-2-[3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3592681
4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797602
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211
2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 4320040
2-[(3R)-5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98121629
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3778309

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The IUPAC name of 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline (CID 3488545) is 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline.
What is the SMILES notation for 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The canonical SMILES for 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline is Clc1ccc2nc(N3N=C(c4ccco4)CC3c3ccco3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The InChIKey is RRVNKTFWLQBIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)28-25(27-19)30-21(23-9-5-13-32-23)15-20(29-30)22-8-4-12-31-22/h1-14,21H,15H2.
What are the key properties of 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline has a molecular weight of 440.89 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline is sourced from PubChem (CID 3488545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).