4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline

C21H31N5O — CID 126894851

IUPAC4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(CCC4CCCCN4C)CC3)cc12
InChIInChI=1S/C21H31N5O/c1-24-9-4-3-5-17(24)8-10-25-11-13-26(14-12-25)18-6-7-20-19(15-18)21(27-2)23-16-22-20/h6-7,15-17H,3-5,8-14H2,1-2H3
InChIKeyZBVUXFBXCPEQRN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.63
Rot. Bonds5

About 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline

4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline (PubChem CID 126894851) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
PubChem CID126894851
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(CCC4CCCCN4C)CC3)cc12
InChIInChI=1S/C21H31N5O/c1-24-9-4-3-5-17(24)8-10-25-11-13-26(14-12-25)18-6-7-20-19(15-18)21(27-2)23-16-22-20/h6-7,15-17H,3-5,8-14H2,1-2H3
InChIKeyZBVUXFBXCPEQRN-UHFFFAOYSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126894808
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline (CID 126894851) is 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline is COc1ncnc2ccc(N3CCN(CCC4CCCCN4C)CC3)cc12.
What is the InChIKey of 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline?
The InChIKey is ZBVUXFBXCPEQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-24-9-4-3-5-17(24)8-10-25-11-13-26(14-12-25)18-6-7-20-19(15-18)21(27-2)23-16-22-20/h6-7,15-17H,3-5,8-14H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline?
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline has a molecular weight of 369.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).