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

C29H20Cl2N4 — CID 3448032

IUPAC6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccccc3Cl)nc(-c3ccccc3)c2c1
InChIInChI=1S/C29H20Cl2N4/c30-21-15-16-25-23(17-21)28(20-11-5-2-6-12-20)33-29(32-25)35-27(22-13-7-8-14-24(22)31)18-26(34-35)19-9-3-1-4-10-19/h1-17,27H,18H2
InChIKeyKNOHXCCPOVFBJH-UHFFFAOYSA-N
MW495.41 g/mol
LogP7.96
Rot. Bonds4

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

6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 3448032) has the molecular formula C29H20Cl2N4 and a molecular weight of 495.41 g/mol. Its IUPAC name is 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID3448032
Molecular FormulaC29H20Cl2N4
Molecular Weight495.41 g/mol
Exact Mass494.11
IUPAC Name6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESClc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccccc3Cl)nc(-c3ccccc3)c2c1
InChIInChI=1S/C29H20Cl2N4/c30-21-15-16-25-23(17-21)28(20-11-5-2-6-12-20)33-29(32-25)35-27(22-13-7-8-14-24(22)31)18-26(34-35)19-9-3-1-4-10-19/h1-17,27H,18H2
InChIKeyKNOHXCCPOVFBJH-UHFFFAOYSA-N
XLogP7.96
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3426398
6-bromo-2-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 4522253
2-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 46497600
2-[(3R)-5-(3-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98257611
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
6-bromo-2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 5049462
6-chloro-2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97354079
2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 3488545

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 3448032) is 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is Clc1ccc2nc(N3N=C(c4ccccc4)CC3c3ccccc3Cl)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is KNOHXCCPOVFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N4/c30-21-15-16-25-23(17-21)28(20-11-5-2-6-12-20)33-29(32-25)35-27(22-13-7-8-14-24(22)31)18-26(34-35)19-9-3-1-4-10-19/h1-17,27H,18H2.
What are the key properties of 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 495.41 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 3448032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).