[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone

C27H26ClN5O2 — CID 37132593

IUPAC[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H26ClN5O2/c28-20-11-9-19(10-12-20)18-35-24-8-4-2-6-22(24)27(34)33-15-13-32(14-16-33)17-25-30-23-7-3-1-5-21(23)26(29)31-25/h1-12H,13-18H2,(H2,29,30,31)
InChIKeyCZMUWUWAPNTTGQ-UHFFFAOYSA-N
MW487.99 g/mol
LogP4.40
Rot. Bonds6

About [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone (PubChem CID 37132593) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
PubChem CID37132593
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H26ClN5O2/c28-20-11-9-19(10-12-20)18-35-24-8-4-2-6-22(24)27(34)33-15-13-32(14-16-33)17-25-30-23-7-3-1-5-21(23)26(29)31-25/h1-12H,13-18H2,(H2,29,30,31)
InChIKeyCZMUWUWAPNTTGQ-UHFFFAOYSA-N
XLogP4.40
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone 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

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 33120529
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
2-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile
CID 37129585
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826
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
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 37131062
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone (CID 37132593) is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone is Nc1nc(CN2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The InChIKey is CZMUWUWAPNTTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c28-20-11-9-19(10-12-20)18-35-24-8-4-2-6-22(24)27(34)33-15-13-32(14-16-33)17-25-30-23-7-3-1-5-21(23)26(29)31-25/h1-12H,13-18H2,(H2,29,30,31).
What are the key properties of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone has a molecular weight of 487.99 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 37132593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).