3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

C19H21N5O2S — CID 99874645

IUPAC3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCN1c1nccs1
InChIInChI=1S/C19H21N5O2S/c25-17(21-12-14-4-3-9-24(14)19-20-8-11-27-19)7-10-23-13-22-16-6-2-1-5-15(16)18(23)26/h1-2,5-6,8,11,13-14H,3-4,7,9-10,12H2,(H,21,25)/t14-/m1/s1
InChIKeyGTZWCLJZDWUXCI-CQSZACIVSA-N
MW383.48 g/mol
LogP2.03
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (PubChem CID 99874645) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
PubChem CID99874645
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCN1c1nccs1
InChIInChI=1S/C19H21N5O2S/c25-17(21-12-14-4-3-9-24(14)19-20-8-11-27-19)7-10-23-13-22-16-6-2-1-5-15(16)18(23)26/h1-2,5-6,8,11,13-14H,3-4,7,9-10,12H2,(H,21,25)/t14-/m1/s1
InChIKeyGTZWCLJZDWUXCI-CQSZACIVSA-N
XLogP2.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619550
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345
3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619408
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (CID 99874645) is 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCN1c1nccs1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is GTZWCLJZDWUXCI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-17(21-12-14-4-3-9-24(14)19-20-8-11-27-19)7-10-23-13-22-16-6-2-1-5-15(16)18(23)26/h1-2,5-6,8,11,13-14H,3-4,7,9-10,12H2,(H,21,25)/t14-/m1/s1.
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 383.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 99874645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).