2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C22H22ClN3O4 — CID 135891120

IUPAC2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1
InChIInChI=1S/C22H22ClN3O4/c23-15-7-9-16(10-8-15)30-14-21(27)26(12-17-4-3-11-29-17)13-20-24-19-6-2-1-5-18(19)22(28)25-20/h1-2,5-10,17H,3-4,11-14H2,(H,24,25,28)
InChIKeyXMKBZTIQBFIABE-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.16
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135891120) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135891120
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1
InChIInChI=1S/C22H22ClN3O4/c23-15-7-9-16(10-8-15)30-14-21(27)26(12-17-4-3-11-29-17)13-20-24-19-6-2-1-5-18(19)22(28)25-20/h1-2,5-10,17H,3-4,11-14H2,(H,24,25,28)
InChIKeyXMKBZTIQBFIABE-UHFFFAOYSA-N
XLogP3.16
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-2-carboxamide
CID 135920659
2-(3,4-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722333
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135953968
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazine-2-carboxamide
CID 135758858
(2S)-2-(4-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891643
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 135587848
2-(6-methoxy-1-benzofuran-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136772350
(3S)-3-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135958561

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135891120) is 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is XMKBZTIQBFIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c23-15-7-9-16(10-8-15)30-14-21(27)26(12-17-4-3-11-29-17)13-20-24-19-6-2-1-5-18(19)22(28)25-20/h1-2,5-10,17H,3-4,11-14H2,(H,24,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 427.89 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135891120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).