N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide

C23H25N3O4S — CID 16541010

IUPACN-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C23H25N3O4S/c1-15(21(27)24-19-11-5-6-12-20(19)29-2)31-23-25-18-10-4-3-9-17(18)22(28)26(23)14-16-8-7-13-30-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,27)
InChIKeySRYFJOMVAXRWPZ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.70
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide

N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide (PubChem CID 16541010) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
PubChem CID16541010
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C23H25N3O4S/c1-15(21(27)24-19-11-5-6-12-20(19)29-2)31-23-25-18-10-4-3-9-17(18)22(28)26(23)14-16-8-7-13-30-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,27)
InChIKeySRYFJOMVAXRWPZ-UHFFFAOYSA-N
XLogP3.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide (CID 16541010) is N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide is COc1ccccc1NC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC1CCCO1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide?
The InChIKey is SRYFJOMVAXRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15(21(27)24-19-11-5-6-12-20(19)29-2)31-23-25-18-10-4-3-9-17(18)22(28)26(23)14-16-8-7-13-30-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide?
N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide has a molecular weight of 439.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 16541010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).