N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide

C20H22N2O — CID 750252

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C20H22N2O/c23-19(13-14-7-2-1-3-8-14)22-20-15-9-4-5-11-17(15)21-18-12-6-10-16(18)20/h1-3,7-8H,4-6,9-13H2,(H,21,22,23)
InChIKeyPXUNRLKVYOMHCE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.63
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide (PubChem CID 750252) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide
PubChem CID750252
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C20H22N2O/c23-19(13-14-7-2-1-3-8-14)22-20-15-9-4-5-11-17(15)21-18-12-6-10-16(18)20/h1-3,7-8H,4-6,9-13H2,(H,21,22,23)
InChIKeyPXUNRLKVYOMHCE-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90110531
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CID 3078987
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CID 659201
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CID 44533160
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CID 2557061
CID 2557061
CID 2831770
CID 2831770
CID 5127539
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CID 3092842
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CID 787494
CID 787494

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide (CID 750252) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide?
The InChIKey is PXUNRLKVYOMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19(13-14-7-2-1-3-8-14)22-20-15-9-4-5-11-17(15)21-18-12-6-10-16(18)20/h1-3,7-8H,4-6,9-13H2,(H,21,22,23).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide has a molecular weight of 306.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide is sourced from PubChem (CID 750252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).