N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C19H21N3O2 — CID 136867023

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCC1CC2C=CC1C2
InChIInChI=1S/C19H21N3O2/c23-18(20-11-14-10-12-5-6-13(14)9-12)8-7-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-6,12-14H,7-11H2,(H,20,23)(H,21,22,24)
InChIKeyPTAQDLFYHDXUPP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.18
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 136867023) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID136867023
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCC1CC2C=CC1C2
InChIInChI=1S/C19H21N3O2/c23-18(20-11-14-10-12-5-6-13(14)9-12)8-7-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-6,12-14H,7-11H2,(H,20,23)(H,21,22,24)
InChIKeyPTAQDLFYHDXUPP-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 95860224
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
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3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 136867023) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is PTAQDLFYHDXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(20-11-14-10-12-5-6-13(14)9-12)8-7-17-21-16-4-2-1-3-15(16)19(24)22-17/h1-6,12-14H,7-11H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 136867023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).