N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

C23H22ClN7 — CID 21004296

IUPACN-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESClc1cccc(Nc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)c1
InChIInChI=1S/C23H22ClN7/c24-17-5-3-6-18(15-17)27-22-19-7-1-2-8-20(19)28-21(29-22)16-30-11-13-31(14-12-30)23-25-9-4-10-26-23/h1-10,15H,11-14,16H2,(H,27,28,29)
InChIKeyBPCSOLGEMOGKJL-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.14
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine (PubChem CID 21004296) has the molecular formula C23H22ClN7 and a molecular weight of 431.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
PubChem CID21004296
Molecular FormulaC23H22ClN7
Molecular Weight431.93 g/mol
Exact Mass431.16
IUPAC NameN-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESClc1cccc(Nc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)c1
InChIInChI=1S/C23H22ClN7/c24-17-5-3-6-18(15-17)27-22-19-7-1-2-8-20(19)28-21(29-22)16-30-11-13-31(14-12-30)23-25-9-4-10-26-23/h1-10,15H,11-14,16H2,(H,27,28,29)
InChIKeyBPCSOLGEMOGKJL-UHFFFAOYSA-N
XLogP4.14
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004285
1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pyrazol-3-one
CID 21004329
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004355
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 143396975
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
4-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinazolin-2-yl]methyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 58809395
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
CID 90037613
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine (CID 21004296) is N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine is Clc1cccc(Nc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The InChIKey is BPCSOLGEMOGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7/c24-17-5-3-6-18(15-17)27-22-19-7-1-2-8-20(19)28-21(29-22)16-30-11-13-31(14-12-30)23-25-9-4-10-26-23/h1-10,15H,11-14,16H2,(H,27,28,29).
What are the key properties of N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine has a molecular weight of 431.93 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 21004296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).