3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one

C23H30N6O2 — CID 126899283

IUPAC3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4c5c(nn4C)CCC5)CC3)ccc2c1=O
InChIInChI=1S/C23H30N6O2/c1-26-22(18-4-3-5-20(18)25-26)15-27-8-10-28(11-9-27)17-6-7-19-21(14-17)24-16-29(23(19)30)12-13-31-2/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyPDLOJBPDTJQFSZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one

3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126899283) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126899283
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4c5c(nn4C)CCC5)CC3)ccc2c1=O
InChIInChI=1S/C23H30N6O2/c1-26-22(18-4-3-5-20(18)25-26)15-27-8-10-28(11-9-27)17-6-7-19-21(14-17)24-16-29(23(19)30)12-13-31-2/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyPDLOJBPDTJQFSZ-UHFFFAOYSA-N
XLogP1.59
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126899062
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 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) is 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(Cc4c5c(nn4C)CCC5)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is PDLOJBPDTJQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-26-22(18-4-3-5-20(18)25-26)15-27-8-10-28(11-9-27)17-6-7-19-21(14-17)24-16-29(23(19)30)12-13-31-2/h6-7,14,16H,3-5,8-13,15H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 422.53 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).