N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide

C22H25N3O2 — CID 34756761

IUPACN-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)16-10-12-17(13-11-16)24-20(26)9-6-14-25-15-23-19-8-5-4-7-18(19)21(25)27/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyBYYFTEOVIZWSSP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.11
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide

N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 34756761) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID34756761
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)16-10-12-17(13-11-16)24-20(26)9-6-14-25-15-23-19-8-5-4-7-18(19)21(25)27/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyBYYFTEOVIZWSSP-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 45494949
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
CID 30804576
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide (CID 34756761) is N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide is CC(C)(C)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is BYYFTEOVIZWSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)16-10-12-17(13-11-16)24-20(26)9-6-14-25-15-23-19-8-5-4-7-18(19)21(25)27/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 363.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 34756761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).