2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline

C21H24N4O3 — CID 141195742

IUPAC2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cccc(C2CN(c3nc(OC)nc4ccc(OC)cc34)CCN2)c1
InChIInChI=1S/C21H24N4O3/c1-26-15-6-4-5-14(11-15)19-13-25(10-9-22-19)20-17-12-16(27-2)7-8-18(17)23-21(24-20)28-3/h4-8,11-12,19,22H,9-10,13H2,1-3H3
InChIKeyQHKHVIZHFWKGTA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.81
Rot. Bonds5

About 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline

2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline (PubChem CID 141195742) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline
PubChem CID141195742
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cccc(C2CN(c3nc(OC)nc4ccc(OC)cc34)CCN2)c1
InChIInChI=1S/C21H24N4O3/c1-26-15-6-4-5-14(11-15)19-13-25(10-9-22-19)20-17-12-16(27-2)7-8-18(17)23-21(24-20)28-3/h4-8,11-12,19,22H,9-10,13H2,1-3H3
InChIKeyQHKHVIZHFWKGTA-UHFFFAOYSA-N
XLogP2.81
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6,7-dimethoxy-4-(3-phenylpiperazin-1-yl)quinazolin-2-yl] 2,2,2-trifluoroacetate
CID 140519406
1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
CID 64952389
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166360904
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline (CID 141195742) is 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline is COc1cccc(C2CN(c3nc(OC)nc4ccc(OC)cc34)CCN2)c1.
What is the InChIKey of 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The InChIKey is QHKHVIZHFWKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-15-6-4-5-14(11-15)19-13-25(10-9-22-19)20-17-12-16(27-2)7-8-18(17)23-21(24-20)28-3/h4-8,11-12,19,22H,9-10,13H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline has a molecular weight of 380.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 141195742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).