4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline

C21H23ClN4O2 — CID 177373905

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1OC
InChIInChI=1S/C21H23ClN4O2/c1-27-19-11-17-18(12-20(19)28-2)23-14-24-21(17)26-9-7-25(8-10-26)13-15-3-5-16(22)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyOCAZWKJIRZTXCJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 177373905) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID177373905
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1OC
InChIInChI=1S/C21H23ClN4O2/c1-27-19-11-17-18(12-20(19)28-2)23-14-24-21(17)26-9-7-25(8-10-26)13-15-3-5-16(22)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyOCAZWKJIRZTXCJ-UHFFFAOYSA-N
XLogP3.62
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 21002962
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
(4-chlorophenyl)methyl 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbodithioate
CID 71549058
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
CID 24855235
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline (CID 177373905) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is OCAZWKJIRZTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-27-19-11-17-18(12-20(19)28-2)23-14-24-21(17)26-9-7-25(8-10-26)13-15-3-5-16(22)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 398.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 177373905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).