2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one

C23H25N7O3 — CID 126899287

IUPAC2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4nc5ncccc5c(=O)n4C)CC3)ccc2c1=O
InChIInChI=1S/C23H25N7O3/c1-27-21(31)18-4-3-7-24-20(18)26-23(27)29-10-8-28(9-11-29)16-5-6-17-19(14-16)25-15-30(22(17)32)12-13-33-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJRPWOVUBGGEZIR-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one

2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 126899287) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID126899287
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4nc5ncccc5c(=O)n4C)CC3)ccc2c1=O
InChIInChI=1S/C23H25N7O3/c1-27-21(31)18-4-3-7-24-20(18)26-23(27)29-10-8-28(9-11-29)16-5-6-17-19(14-16)25-15-30(22(17)32)12-13-33-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJRPWOVUBGGEZIR-UHFFFAOYSA-N
XLogP1.01
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
3-(2-methoxyethyl)-7-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244
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-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one (CID 126899287) is 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one is COCCn1cnc2cc(N3CCN(c4nc5ncccc5c(=O)n4C)CC3)ccc2c1=O.
What is the InChIKey of 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JRPWOVUBGGEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-27-21(31)18-4-3-7-24-20(18)26-23(27)29-10-8-28(9-11-29)16-5-6-17-19(14-16)25-15-30(22(17)32)12-13-33-2/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one?
2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 447.50 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126899287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).