N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C17H23N3O3 — CID 137097401

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-3-11(2)14(10-21)19-16(22)9-8-15-18-13-7-5-4-6-12(13)17(23)20-15/h4-7,11,14,21H,3,8-10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyZSPSAXOEYNOZBZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.38
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137097401) 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-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137097401
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-3-11(2)14(10-21)19-16(22)9-8-15-18-13-7-5-4-6-12(13)17(23)20-15/h4-7,11,14,21H,3,8-10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyZSPSAXOEYNOZBZ-UHFFFAOYSA-N
XLogP1.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137097401) is N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCC(C)C(CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is ZSPSAXOEYNOZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-11(2)14(10-21)19-16(22)9-8-15-18-13-7-5-4-6-12(13)17(23)20-15/h4-7,11,14,21H,3,8-10H2,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137097401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).