N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H25N3O3 — CID 111480037

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-13(22)10-18(2,3)11-19-16(23)8-9-21-12-20-15-7-5-4-6-14(15)17(21)24/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,23)
InChIKeyQOWKUPWEUOIRPJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.70
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 111480037) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID111480037
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-13(22)10-18(2,3)11-19-16(23)8-9-21-12-20-15-7-5-4-6-14(15)17(21)24/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,23)
InChIKeyQOWKUPWEUOIRPJ-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55694713
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 111480037) is N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide is CC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QOWKUPWEUOIRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(22)10-18(2,3)11-19-16(23)8-9-21-12-20-15-7-5-4-6-14(15)17(21)24/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 111480037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).