4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine

C28H36N6O2 — CID 143340912

IUPAC4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine
SMILESC=CC=CCc1[nH]cc(-c2ccc3nc(OCCN4CCOCC4)nc(N4CCNCC4)c3c2)c1C
InChIInChI=1S/C28H36N6O2/c1-3-4-5-6-25-21(2)24(20-30-25)22-7-8-26-23(19-22)27(34-11-9-29-10-12-34)32-28(31-26)36-18-15-33-13-16-35-17-14-33/h3-5,7-8,19-20,29-30H,1,6,9-18H2,2H3
InChIKeyFDGQNUHPJKCIHL-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.34
Rot. Bonds9

About 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine

4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine (PubChem CID 143340912) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine
PubChem CID143340912
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine
SMILESC=CC=CCc1[nH]cc(-c2ccc3nc(OCCN4CCOCC4)nc(N4CCNCC4)c3c2)c1C
InChIInChI=1S/C28H36N6O2/c1-3-4-5-6-25-21(2)24(20-30-25)22-7-8-26-23(19-22)27(34-11-9-29-10-12-34)32-28(31-26)36-18-15-33-13-16-35-17-14-33/h3-5,7-8,19-20,29-30H,1,6,9-18H2,2H3
InChIKeyFDGQNUHPJKCIHL-UHFFFAOYSA-N
XLogP3.34
TPSA78.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
CID 11477585
4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
CID 90689533
ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
CID 143533323
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol
CID 143340831
N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
CID 68601586
(3Z,5E)-6-fluoro-7-[8-fluoro-6-methyl-4-(4-methylpiperazin-1-yl)-2-(2-morpholin-4-ylethoxy)quinazolin-7-yl]-2-methylidenehepta-3,5-dien-1-ol;prop-2-enal
CID 145168644

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine (CID 143340912) is 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine is C=CC=CCc1[nH]cc(-c2ccc3nc(OCCN4CCOCC4)nc(N4CCNCC4)c3c2)c1C.
What is the InChIKey of 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine?
The InChIKey is FDGQNUHPJKCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-3-4-5-6-25-21(2)24(20-30-25)22-7-8-26-23(19-22)27(34-11-9-29-10-12-34)32-28(31-26)36-18-15-33-13-16-35-17-14-33/h3-5,7-8,19-20,29-30H,1,6,9-18H2,2H3.
What are the key properties of 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine?
4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine has a molecular weight of 488.64 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-methyl-5-penta-2,4-dienyl-1H-pyrrol-3-yl)-4-piperazin-1-ylquinazolin-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 143340912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).