N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C22H25N3O2 — CID 135899752

IUPACN-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCC(NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-3-18(16-13-11-15(2)12-14-16)24-21(26)10-6-9-20-23-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-14,18H,3,6,9-10H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyJDUWVSFAAUTEEB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135899752) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135899752
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCC(NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-3-18(16-13-11-15(2)12-14-16)24-21(26)10-6-9-20-23-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-14,18H,3,6,9-10H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyJDUWVSFAAUTEEB-UHFFFAOYSA-N
XLogP3.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135899752) is N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CCC(NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is JDUWVSFAAUTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-18(16-13-11-15(2)12-14-16)24-21(26)10-6-9-20-23-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-14,18H,3,6,9-10H2,1-2H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).