N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C17H21N3O3 — CID 35246626

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-12(15-7-4-10-23-15)19-16(21)8-9-20-11-18-14-6-3-2-5-13(14)17(20)22/h2-3,5-6,11-12,15H,4,7-10H2,1H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyUHGBWQJZNUIKCN-IUODEOHRSA-N
MW315.37 g/mol
LogP1.47
Rot. Bonds5

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 35246626) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID35246626
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-12(15-7-4-10-23-15)19-16(21)8-9-20-11-18-14-6-3-2-5-13(14)17(20)22/h2-3,5-6,11-12,15H,4,7-10H2,1H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyUHGBWQJZNUIKCN-IUODEOHRSA-N
XLogP1.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35246602
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 35249585
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52521199
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 124877599
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-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 35246626) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is UHGBWQJZNUIKCN-IUODEOHRSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(15-7-4-10-23-15)19-16(21)8-9-20-11-18-14-6-3-2-5-13(14)17(20)22/h2-3,5-6,11-12,15H,4,7-10H2,1H3,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 35246626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).