N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide

C27H23Cl2N5O2 — CID 25030791

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncnc3ccccc23)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C27H23Cl2N5O2/c28-18-9-10-24(21(15-18)26(36)19-5-1-3-7-22(19)29)32-25(35)16-33-11-13-34(14-12-33)27-20-6-2-4-8-23(20)30-17-31-27/h1-10,15,17H,11-14,16H2,(H,32,35)
InChIKeyAOUYGWBNVDGMES-UHFFFAOYSA-N
MW520.42 g/mol
LogP4.93
Rot. Bonds6

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide (PubChem CID 25030791) has the molecular formula C27H23Cl2N5O2 and a molecular weight of 520.42 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
PubChem CID25030791
Molecular FormulaC27H23Cl2N5O2
Molecular Weight520.42 g/mol
Exact Mass519.12
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncnc3ccccc23)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C27H23Cl2N5O2/c28-18-9-10-24(21(15-18)26(36)19-5-1-3-7-22(19)29)32-25(35)16-33-11-13-34(14-12-33)27-20-6-2-4-8-23(20)30-17-31-27/h1-10,15,17H,11-14,16H2,(H,32,35)
InChIKeyAOUYGWBNVDGMES-UHFFFAOYSA-N
XLogP4.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-prop-2-ynyl-2-(4-quinazolin-4-yl-1,4-diazepan-1-yl)acetamide
CID 133312891
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide
CID 22273457
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-[3-(4-oxo-3-phenylchromen-2-yl)oxypropyl]piperazin-1-yl]acetamide
CID 25030339
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16608589
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
CID 53137404
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 177461135

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide (CID 25030791) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncnc3ccccc23)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is AOUYGWBNVDGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O2/c28-18-9-10-24(21(15-18)26(36)19-5-1-3-7-22(19)29)32-25(35)16-33-11-13-34(14-12-33)27-20-6-2-4-8-23(20)30-17-31-27/h1-10,15,17H,11-14,16H2,(H,32,35).
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 520.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 25030791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).