N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

C22H25N3O3 — CID 135429078

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H25N3O3/c1-3-6-21(26)25(14-13-16-9-11-17(28-2)12-10-16)15-20-23-19-8-5-4-7-18(19)22(27)24-20/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24,27)
InChIKeyHQFXHUSQWGEYSF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (PubChem CID 135429078) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
PubChem CID135429078
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H25N3O3/c1-3-6-21(26)25(14-13-16-9-11-17(28-2)12-10-16)15-20-23-19-8-5-4-7-18(19)22(27)24-20/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24,27)
InChIKeyHQFXHUSQWGEYSF-UHFFFAOYSA-N
XLogP3.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (CID 135429078) is N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is CCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The InChIKey is HQFXHUSQWGEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-6-21(26)25(14-13-16-9-11-17(28-2)12-10-16)15-20-23-19-8-5-4-7-18(19)22(27)24-20/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is sourced from PubChem (CID 135429078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).