4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline

C19H27N5O — CID 68614201

IUPAC4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline
SMILESCC(Oc1ccc2c(N3CCNCC3)ncnc2c1)C1CCCCN1
InChIInChI=1S/C19H27N5O/c1-14(17-4-2-3-7-21-17)25-15-5-6-16-18(12-15)22-13-23-19(16)24-10-8-20-9-11-24/h5-6,12-14,17,20-21H,2-4,7-11H2,1H3
InChIKeyZQPJQRVAYQHDBD-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.95
Rot. Bonds4

About 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline

4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline (PubChem CID 68614201) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline.

Molecular Properties

Compound Name4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline
PubChem CID68614201
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline
SMILESCC(Oc1ccc2c(N3CCNCC3)ncnc2c1)C1CCCCN1
InChIInChI=1S/C19H27N5O/c1-14(17-4-2-3-7-21-17)25-15-5-6-16-18(12-15)22-13-23-19(16)24-10-8-20-9-11-24/h5-6,12-14,17,20-21H,2-4,7-11H2,1H3
InChIKeyZQPJQRVAYQHDBD-UHFFFAOYSA-N
XLogP1.95
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-[6-methoxy-7-(1-piperidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 66838379
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 154673037
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
CID 91008575
2-[1-[7-(2-methylpropoxy)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468207
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline?
The IUPAC name of 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline (CID 68614201) is 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline.
What is the SMILES notation for 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline?
The canonical SMILES for 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline is CC(Oc1ccc2c(N3CCNCC3)ncnc2c1)C1CCCCN1.
What is the InChIKey of 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline?
The InChIKey is ZQPJQRVAYQHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(17-4-2-3-7-21-17)25-15-5-6-16-18(12-15)22-13-23-19(16)24-10-8-20-9-11-24/h5-6,12-14,17,20-21H,2-4,7-11H2,1H3.
What are the key properties of 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline?
4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline has a molecular weight of 341.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline is sourced from PubChem (CID 68614201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).