2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

C35H35Cl2N7 — CID 58809606

IUPAC2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C35H35Cl2N7/c36-28-12-8-26(9-13-28)34(27-10-14-29(37)15-11-27)43-19-17-41(18-20-43)25-32-39-31-6-2-1-5-30(31)35(40-32)44-23-21-42(22-24-44)33-7-3-4-16-38-33/h1-16,34H,17-25H2
InChIKeyVIWFSNKFMCJQLA-UHFFFAOYSA-N
MW624.62 g/mol
LogP6.57
Rot. Bonds7

About 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (PubChem CID 58809606) has the molecular formula C35H35Cl2N7 and a molecular weight of 624.62 g/mol. Its IUPAC name is 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
PubChem CID58809606
Molecular FormulaC35H35Cl2N7
Molecular Weight624.62 g/mol
Exact Mass623.23
IUPAC Name2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C35H35Cl2N7/c36-28-12-8-26(9-13-28)34(27-10-14-29(37)15-11-27)43-19-17-41(18-20-43)25-32-39-31-6-2-1-5-30(31)35(40-32)44-23-21-42(22-24-44)33-7-3-4-16-38-33/h1-16,34H,17-25H2
InChIKeyVIWFSNKFMCJQLA-UHFFFAOYSA-N
XLogP6.57
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.62
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline with MolForge

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Related Compounds

Piperaquine
CID 122262
Nsc343227
CID 335083
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
2-(2,4-Dichlorophenyl)-4-(piperidin-1-yl)quinazoline
CID 1895552
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
3-(2,6-dichlorophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330142
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (CID 58809606) is 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is VIWFSNKFMCJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Cl2N7/c36-28-12-8-26(9-13-28)34(27-10-14-29(37)15-11-27)43-19-17-41(18-20-43)25-32-39-31-6-2-1-5-30(31)35(40-32)44-23-21-42(22-24-44)33-7-3-4-16-38-33/h1-16,34H,17-25H2.
What are the key properties of 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 624.62 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 58809606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).