4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide

C22H23Cl2N5O — CID 90709421

IUPAC4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCc2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-16-6-2-1-5-15(16)21-26-18-8-3-7-17(24)20(18)19(27-21)9-4-10-28-11-13-29(14-12-28)22(25)30/h1-3,5-8H,4,9-14H2,(H2,25,30)
InChIKeyHDBBKHRKGUWZPQ-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.23
Rot. Bonds5

About 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide

4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide (PubChem CID 90709421) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide
PubChem CID90709421
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCc2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1
InChIInChI=1S/C22H23Cl2N5O/c23-16-6-2-1-5-15(16)21-26-18-8-3-7-17(24)20(18)19(27-21)9-4-10-28-11-13-29(14-12-28)22(25)30/h1-3,5-8H,4,9-14H2,(H2,25,30)
InChIKeyHDBBKHRKGUWZPQ-UHFFFAOYSA-N
XLogP4.23
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
CID 91553260
1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one
CID 90727834
4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide
CID 171337663
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
2-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2870515
2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
CID 86256332
[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
CID 28904281
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone
CID 138600724
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide (CID 90709421) is 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide is NC(=O)N1CCN(CCCc2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1.
What is the InChIKey of 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide?
The InChIKey is HDBBKHRKGUWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-16-6-2-1-5-15(16)21-26-18-8-3-7-17(24)20(18)19(27-21)9-4-10-28-11-13-29(14-12-28)22(25)30/h1-3,5-8H,4,9-14H2,(H2,25,30).
What are the key properties of 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide?
4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide is sourced from PubChem (CID 90709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).