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

C30H22Cl2N4 — CID 25360474

IUPAC6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H22Cl2N4/c1-19-7-9-20(10-8-19)27-18-28(21-11-13-23(31)14-12-21)36(35-27)30-33-26-16-15-24(32)17-25(26)29(34-30)22-5-3-2-4-6-22/h2-17,28H,18H2,1H3/t28-/m0/s1
InChIKeyMXBCCZLAAGDAQZ-NDEPHWFRSA-N
MW509.44 g/mol
LogP8.27
Rot. Bonds4

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

6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 25360474) has the molecular formula C30H22Cl2N4 and a molecular weight of 509.44 g/mol. Its IUPAC name is 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID25360474
Molecular FormulaC30H22Cl2N4
Molecular Weight509.44 g/mol
Exact Mass508.12
IUPAC Name6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H22Cl2N4/c1-19-7-9-20(10-8-19)27-18-28(21-11-13-23(31)14-12-21)36(35-27)30-33-26-16-15-24(32)17-25(26)29(34-30)22-5-3-2-4-6-22/h2-17,28H,18H2,1H3/t28-/m0/s1
InChIKeyMXBCCZLAAGDAQZ-NDEPHWFRSA-N
XLogP8.27
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
4-[2-(6-chloro-4-phenylquinazolin-2-yl)-5-(3-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71906214
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 97353782
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98326761
4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797624
6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3426398
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 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 25360474) is 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is Cc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is MXBCCZLAAGDAQZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H22Cl2N4/c1-19-7-9-20(10-8-19)27-18-28(21-11-13-23(31)14-12-21)36(35-27)30-33-26-16-15-24(32)17-25(26)29(34-30)22-5-3-2-4-6-22/h2-17,28H,18H2,1H3/t28-/m0/s1.
What are the key properties of 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 509.44 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 25360474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).