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

C27H19ClN4O — CID 3426398

IUPAC6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccco3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C27H19ClN4O/c28-20-13-14-22-21(16-20)26(19-10-5-2-6-11-19)30-27(29-22)32-24(25-12-7-15-33-25)17-23(31-32)18-8-3-1-4-9-18/h1-16,24H,17H2
InChIKeyLZZBBKJJMXSUTH-UHFFFAOYSA-N
MW450.93 g/mol
LogP6.90
Rot. Bonds4

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

6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 3426398) has the molecular formula C27H19ClN4O and a molecular weight of 450.93 g/mol. Its IUPAC name is 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID3426398
Molecular FormulaC27H19ClN4O
Molecular Weight450.93 g/mol
Exact Mass450.12
IUPAC Name6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccco3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C27H19ClN4O/c28-20-13-14-22-21(16-20)26(19-10-5-2-6-11-19)30-27(29-22)32-24(25-12-7-15-33-25)17-23(31-32)18-8-3-1-4-9-18/h1-16,24H,17H2
InChIKeyLZZBBKJJMXSUTH-UHFFFAOYSA-N
XLogP6.90
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 3488545
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-[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
2-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 46497600
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98326761

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 3426398) is 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is Clc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccco3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is LZZBBKJJMXSUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O/c28-20-13-14-22-21(16-20)26(19-10-5-2-6-11-19)30-27(29-22)32-24(25-12-7-15-33-25)17-23(31-32)18-8-3-1-4-9-18/h1-16,24H,17H2.
What are the key properties of 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 450.93 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 3426398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).