N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide

C21H24N2O — CID 42800674

IUPACN-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N2CCCC12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-15(16-8-3-2-4-9-16)22-21(24)18-14-17-10-5-6-11-19(17)23-13-7-12-20(18)23/h2-6,8-11,15,18,20H,7,12-14H2,1H3,(H,22,24)
InChIKeyODSZIVSFTFOVSA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.71
Rot. Bonds3

About N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide

N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide (PubChem CID 42800674) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide
PubChem CID42800674
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N2CCCC12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-15(16-8-3-2-4-9-16)22-21(24)18-14-17-10-5-6-11-19(17)23-13-7-12-20(18)23/h2-6,8-11,15,18,20H,7,12-14H2,1H3,(H,22,24)
InChIKeyODSZIVSFTFOVSA-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,5R)-8-nitro-N-[(1S)-1-phenylethyl]-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
CID 31850834
(4aS,5S)-3-(2-chlorophenyl)-8-nitro-N-[(1S)-1-phenylethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93118855
(4aS,5S)-8-nitro-3-phenyl-N-[(1S)-1-phenylethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93118894
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
(4aS,5R)-9-methoxy-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 100897892
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
(4aR,5R)-3-(4-chlorophenyl)-8-nitro-N-[(1S)-1-phenylethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 99728803
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(4aS,5R)-N-[(1S)-1-phenylethyl]-3-(2-phenylethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119465
(4aR,5S)-3-[(4-chlorophenyl)methyl]-8-nitro-N-[(1S)-1-phenylethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 99728896

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide (CID 42800674) is N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide is CC(NC(=O)C1Cc2ccccc2N2CCCC12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide?
The InChIKey is ODSZIVSFTFOVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15(16-8-3-2-4-9-16)22-21(24)18-14-17-10-5-6-11-19(17)23-13-7-12-20(18)23/h2-6,8-11,15,18,20H,7,12-14H2,1H3,(H,22,24).
What are the key properties of N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide?
N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide is sourced from PubChem (CID 42800674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).