5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline

C20H21ClN4O — CID 87057095

IUPAC5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1ccc(CN2CCN(c3ncnc4cccc(Cl)c34)CC2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)20-19-17(21)3-2-4-18(19)22-14-23-20/h2-8,14H,9-13H2,1H3
InChIKeyKUKDXRJDICYEIK-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.61
Rot. Bonds4

About 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline

5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline (PubChem CID 87057095) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
PubChem CID87057095
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1ccc(CN2CCN(c3ncnc4cccc(Cl)c34)CC2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)20-19-17(21)3-2-4-18(19)22-14-23-20/h2-8,14H,9-13H2,1H3
InChIKeyKUKDXRJDICYEIK-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 15953887
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline (CID 87057095) is 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline is COc1ccc(CN2CCN(c3ncnc4cccc(Cl)c34)CC2)cc1.
What is the InChIKey of 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is KUKDXRJDICYEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-26-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)20-19-17(21)3-2-4-18(19)22-14-23-20/h2-8,14H,9-13H2,1H3.
What are the key properties of 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline?
5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 368.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 87057095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).