N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid

C19H23N3O5 — CID 16682699

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid
SMILESCC(C)NCC(=O)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C17H21N3O.C2H2O4/c1-11(2)18-10-16(21)20-17-12-6-3-4-8-14(12)19-15-9-5-7-13(15)17;3-1(4)2(5)6/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3,(H,19,20,21);(H,3,4)(H,5,6)
InChIKeySGKUJBSBQSSAAL-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.82
Rot. Bonds4

About N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid (PubChem CID 16682699) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid
PubChem CID16682699
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid
SMILESCC(C)NCC(=O)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C17H21N3O.C2H2O4/c1-11(2)18-10-16(21)20-17-12-6-3-4-8-14(12)19-15-9-5-7-13(15)17;3-1(4)2(5)6/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3,(H,19,20,21);(H,3,4)(H,5,6)
InChIKeySGKUJBSBQSSAAL-UHFFFAOYSA-N
XLogP1.82
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid (CID 16682699) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid is CC(C)NCC(=O)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O.
What is the InChIKey of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid?
The InChIKey is SGKUJBSBQSSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C2H2O4/c1-11(2)18-10-16(21)20-17-12-6-3-4-8-14(12)19-15-9-5-7-13(15)17;3-1(4)2(5)6/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3,(H,19,20,21);(H,3,4)(H,5,6).
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid has a molecular weight of 373.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide;oxalic acid is sourced from PubChem (CID 16682699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).