2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C22H23N5O3 — CID 135729543

IUPAC2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H23N5O3/c1-15-6-5-9-20-23-16(12-21(28)27(15)20)13-26(10-11-30-2)14-19-24-18-8-4-3-7-17(18)22(29)25-19/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,29)
InChIKeyYLRJNXQXCPHIMX-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.89
Rot. Bonds7

About 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135729543) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135729543
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H23N5O3/c1-15-6-5-9-20-23-16(12-21(28)27(15)20)13-26(10-11-30-2)14-19-24-18-8-4-3-7-17(18)22(29)25-19/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,29)
InChIKeyYLRJNXQXCPHIMX-UHFFFAOYSA-N
XLogP1.89
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729538
3-[2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 135893273
2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
CID 135809314
2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 135809400
N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809360
2-methoxyethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809303
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135520073
3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808096
N-(butylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135750989
N-(cyclopropylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809330

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 135729543) is 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is COCCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YLRJNXQXCPHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-6-5-9-20-23-16(12-21(28)27(15)20)13-26(10-11-30-2)14-19-24-18-8-4-3-7-17(18)22(29)25-19/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,29).
What are the key properties of 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 405.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).