4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline

C27H17Cl3N4O — CID 99797602

IUPAC4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESClc1ccc(-c2nc(N3N=C(c4ccc(Cl)cc4Cl)C[C@@H]3c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C27H17Cl3N4O/c28-17-9-7-16(8-10-17)26-20-4-1-2-5-22(20)31-27(32-26)34-24(25-6-3-13-35-25)15-23(33-34)19-12-11-18(29)14-21(19)30/h1-14,24H,15H2/t24-/m1/s1
InChIKeyDDHBMTNOPAQQTL-XMMPIXPASA-N
MW519.82 g/mol
LogP8.21
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline

4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline (PubChem CID 99797602) has the molecular formula C27H17Cl3N4O and a molecular weight of 519.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline
PubChem CID99797602
Molecular FormulaC27H17Cl3N4O
Molecular Weight519.82 g/mol
Exact Mass518.05
IUPAC Name4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESClc1ccc(-c2nc(N3N=C(c4ccc(Cl)cc4Cl)C[C@@H]3c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C27H17Cl3N4O/c28-17-9-7-16(8-10-17)26-20-4-1-2-5-22(20)31-27(32-26)34-24(25-6-3-13-35-25)15-23(33-34)19-12-11-18(29)14-21(19)30/h1-14,24H,15H2/t24-/m1/s1
InChIKeyDDHBMTNOPAQQTL-XMMPIXPASA-N
XLogP8.21
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.82
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3426398
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
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
4-(4-chlorophenyl)-2-[(3R)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797692
4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797690
4-(4-chlorophenyl)-2-[5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 86819995
4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797624
2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
2-[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 99797583

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline?
The IUPAC name of 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline (CID 99797602) is 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline is Clc1ccc(-c2nc(N3N=C(c4ccc(Cl)cc4Cl)C[C@@H]3c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline?
The InChIKey is DDHBMTNOPAQQTL-XMMPIXPASA-N. The full InChI is InChI=1S/C27H17Cl3N4O/c28-17-9-7-16(8-10-17)26-20-4-1-2-5-22(20)31-27(32-26)34-24(25-6-3-13-35-25)15-23(33-34)19-12-11-18(29)14-21(19)30/h1-14,24H,15H2/t24-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline?
4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline has a molecular weight of 519.82 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline is sourced from PubChem (CID 99797602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).