N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C22H22N4O5 — CID 135599065

IUPACN-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H22N4O5/c1-30-13-12-25(14-19-23-16-7-3-2-6-15(16)21(28)24-19)20(27)10-11-26-17-8-4-5-9-18(17)31-22(26)29/h2-9H,10-14H2,1H3,(H,23,24,28)
InChIKeyDBGUBQOCYPBXBC-UHFFFAOYSA-N
MW422.44 g/mol
LogP1.90
Rot. Bonds8

About N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135599065) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135599065
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H22N4O5/c1-30-13-12-25(14-19-23-16-7-3-2-6-15(16)21(28)24-19)20(27)10-11-26-17-8-4-5-9-18(17)31-22(26)29/h2-9H,10-14H2,1H3,(H,23,24,28)
InChIKeyDBGUBQOCYPBXBC-UHFFFAOYSA-N
XLogP1.90
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135599065) is N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is DBGUBQOCYPBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-13-12-25(14-19-23-16-7-3-2-6-15(16)21(28)24-19)20(27)10-11-26-17-8-4-5-9-18(17)31-22(26)29/h2-9H,10-14H2,1H3,(H,23,24,28).
What are the key properties of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 422.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135599065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).