1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one

C20H27N5O3 — CID 10992646

IUPAC1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
SMILESCOc1cc2c(N3CCNCC3)ncnc2cc1OCCN1CCC(=O)CC1
InChIInChI=1S/C20H27N5O3/c1-27-18-12-16-17(22-14-23-20(16)25-8-4-21-5-9-25)13-19(18)28-11-10-24-6-2-15(26)3-7-24/h12-14,21H,2-11H2,1H3
InChIKeyDIKFCMAUGNHZAE-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one

1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one (PubChem CID 10992646) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
PubChem CID10992646
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
SMILESCOc1cc2c(N3CCNCC3)ncnc2cc1OCCN1CCC(=O)CC1
InChIInChI=1S/C20H27N5O3/c1-27-18-12-16-17(22-14-23-20(16)25-8-4-21-5-9-25)13-19(18)28-11-10-24-6-2-15(26)3-7-24/h12-14,21H,2-11H2,1H3
InChIKeyDIKFCMAUGNHZAE-UHFFFAOYSA-N
XLogP1.09
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one with MolForge

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Related Compounds

4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
CID 11068254
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
CID 141169592
2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate
CID 22260358
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-[6-methoxy-7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 68636592
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-[(4-bromophenyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10304142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one?
The IUPAC name of 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one (CID 10992646) is 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one is COc1cc2c(N3CCNCC3)ncnc2cc1OCCN1CCC(=O)CC1.
What is the InChIKey of 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one?
The InChIKey is DIKFCMAUGNHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-27-18-12-16-17(22-14-23-20(16)25-8-4-21-5-9-25)13-19(18)28-11-10-24-6-2-15(26)3-7-24/h12-14,21H,2-11H2,1H3.
What are the key properties of 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one?
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one has a molecular weight of 385.47 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one is sourced from PubChem (CID 10992646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).