7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

C21H25N5O3S — CID 126899222

IUPAC7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4nc5c(s4)COCC5)CC3)ccc2c1=O
InChIInChI=1S/C21H25N5O3S/c1-28-11-9-26-14-22-18-12-15(2-3-16(18)20(26)27)24-5-7-25(8-6-24)21-23-17-4-10-29-13-19(17)30-21/h2-3,12,14H,4-11,13H2,1H3
InChIKeyBEOLOXOWHZNFQE-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.90
Rot. Bonds5

About 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126899222) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126899222
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4nc5c(s4)COCC5)CC3)ccc2c1=O
InChIInChI=1S/C21H25N5O3S/c1-28-11-9-26-14-22-18-12-15(2-3-16(18)20(26)27)24-5-7-25(8-6-24)21-23-17-4-10-29-13-19(17)30-21/h2-3,12,14H,4-11,13H2,1H3
InChIKeyBEOLOXOWHZNFQE-UHFFFAOYSA-N
XLogP1.90
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
3-(2-methoxyethyl)-7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899130
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 126899287
3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899283
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126899222) is 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2cc(N3CCN(c4nc5c(s4)COCC5)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is BEOLOXOWHZNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-28-11-9-26-14-22-18-12-15(2-3-16(18)20(26)27)24-5-7-25(8-6-24)21-23-17-4-10-29-13-19(17)30-21/h2-3,12,14H,4-11,13H2,1H3.
What are the key properties of 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 427.53 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126899222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).