N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H23N3O3 — CID 91636761

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H23N3O3/c1-3-12(2)15(10-21)19-16(22)8-9-20-11-18-14-7-5-4-6-13(14)17(20)23/h4-7,11-12,15,21H,3,8-10H2,1-2H3,(H,19,22)
InChIKeyOPXDSIWDYVTYCM-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.31
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 91636761) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID91636761
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H23N3O3/c1-3-12(2)15(10-21)19-16(22)8-9-20-11-18-14-7-5-4-6-13(14)17(20)23/h4-7,11-12,15,21H,3,8-10H2,1-2H3,(H,19,22)
InChIKeyOPXDSIWDYVTYCM-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52521199
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916269
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 91790449
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 91636761) is N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is CCC(C)C(CO)NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is OPXDSIWDYVTYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-12(2)15(10-21)19-16(22)8-9-20-11-18-14-7-5-4-6-13(14)17(20)23/h4-7,11-12,15,21H,3,8-10H2,1-2H3,(H,19,22).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 91636761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).