N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide

C16H17N5O2 — CID 137210262

IUPACN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c22-15(6-5-11-9-18-19-10-11)17-8-7-14-20-13-4-2-1-3-12(13)16(23)21-14/h1-4,9-10H,5-8H2,(H,17,22)(H,18,19)(H,20,21,23)
InChIKeyFYUBWYIBUPMKHH-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.94
Rot. Bonds6

About N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide

N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 137210262) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID137210262
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c22-15(6-5-11-9-18-19-10-11)17-8-7-14-20-13-4-2-1-3-12(13)16(23)21-14/h1-4,9-10H,5-8H2,(H,17,22)(H,18,19)(H,20,21,23)
InChIKeyFYUBWYIBUPMKHH-UHFFFAOYSA-N
XLogP0.94
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831616
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide (CID 137210262) is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)NCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is FYUBWYIBUPMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(6-5-11-9-18-19-10-11)17-8-7-14-20-13-4-2-1-3-12(13)16(23)21-14/h1-4,9-10H,5-8H2,(H,17,22)(H,18,19)(H,20,21,23).
What are the key properties of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 311.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 137210262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).