4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide

C20H20ClN5O — CID 91553260

IUPAC4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2nc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)18(24-19)13-25-9-11-26(12-10-25)20(22)27/h1-8H,9-13H2,(H2,22,27)
InChIKeyVRYIKBMXFWSCHC-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.15
Rot. Bonds3

About 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide

4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 91553260) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
PubChem CID91553260
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2nc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)18(24-19)13-25-9-11-26(12-10-25)20(22)27/h1-8H,9-13H2,(H2,22,27)
InChIKeyVRYIKBMXFWSCHC-UHFFFAOYSA-N
XLogP3.15
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide
CID 90709421
4-[(4-methylquinazolin-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 75386144
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24507460
2-[4,7-bis(carboxymethyl)-10-[[3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]quinoxalin-2-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 71491951
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
N-[1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 42932653
1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one
CID 90727834

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide (CID 91553260) is 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide is NC(=O)N1CCN(Cc2nc(-c3ccccc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is VRYIKBMXFWSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)18(24-19)13-25-9-11-26(12-10-25)20(22)27/h1-8H,9-13H2,(H2,22,27).
What are the key properties of 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide?
4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 91553260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).