N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide

C22H23N3O3 — CID 97154007

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C22H23N3O3/c1-27-22-19(24-17-7-3-4-8-18(17)25-22)10-11-21(26)23-13-15-12-16-6-2-5-9-20(16)28-14-15/h2-9,15H,10-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCEJMAEBNBBUZFZ-OAHLLOKOSA-N
MW377.44 g/mol
LogP2.94
Rot. Bonds6

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide (PubChem CID 97154007) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
PubChem CID97154007
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C22H23N3O3/c1-27-22-19(24-17-7-3-4-8-18(17)25-22)10-11-21(26)23-13-15-12-16-6-2-5-9-20(16)28-14-15/h2-9,15H,10-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCEJMAEBNBBUZFZ-OAHLLOKOSA-N
XLogP2.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide
CID 74247344
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 97146068
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 51212011
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
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CID 97275705
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 55527335
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide (CID 97154007) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide is COc1nc2ccccc2nc1CCC(=O)NC[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The InChIKey is CEJMAEBNBBUZFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-22-19(24-17-7-3-4-8-18(17)25-22)10-11-21(26)23-13-15-12-16-6-2-5-9-20(16)28-14-15/h2-9,15H,10-14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide is sourced from PubChem (CID 97154007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).