[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C23H18Cl2N4O2 — CID 46133830

IUPAC[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccccc3Cl)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H18Cl2N4O2/c24-15-7-8-17-19(14-15)26-21(16-4-1-2-5-18(16)25)27-22(17)28-9-11-29(12-10-28)23(30)20-6-3-13-31-20/h1-8,13-14H,9-12H2
InChIKeyGFKJKSVHIRFITC-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.16
Rot. Bonds3

About [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 46133830) has the molecular formula C23H18Cl2N4O2 and a molecular weight of 453.33 g/mol. Its IUPAC name is [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID46133830
Molecular FormulaC23H18Cl2N4O2
Molecular Weight453.33 g/mol
Exact Mass452.08
IUPAC Name[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccccc3Cl)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H18Cl2N4O2/c24-15-7-8-17-19(14-15)26-21(16-4-1-2-5-18(16)25)27-22(17)28-9-11-29(12-10-28)23(30)20-6-3-13-31-20/h1-8,13-14H,9-12H2
InChIKeyGFKJKSVHIRFITC-UHFFFAOYSA-N
XLogP5.16
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42809343
[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126464600
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
methyl 4-(4-acetylpiperazin-1-yl)-2-(2-chlorophenyl)quinazoline-7-carboxylate
CID 25130415
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
ethyl 4-[2-(2-chlorophenyl)-7-(1-methoxyethenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 89219457
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505

Frequently Asked Questions

What is the IUPAC name of [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 46133830) is [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc(-c3ccccc3Cl)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GFKJKSVHIRFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2/c24-15-7-8-17-19(14-15)26-21(16-4-1-2-5-18(16)25)27-22(17)28-9-11-29(12-10-28)23(30)20-6-3-13-31-20/h1-8,13-14H,9-12H2.
What are the key properties of [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 453.33 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46133830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).