N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide

C23H34N4O3 — CID 18571853

IUPACN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN1CCCc2cc(C(CNC(=O)C(=O)NC3CCCC3)N3CCOCC3)ccc21
InChIInChI=1S/C23H34N4O3/c1-26-10-4-5-17-15-18(8-9-20(17)26)21(27-11-13-30-14-12-27)16-24-22(28)23(29)25-19-6-2-3-7-19/h8-9,15,19,21H,2-7,10-14,16H2,1H3,(H,24,28)(H,25,29)
InChIKeySDUJAHRQRLHCPC-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.62
Rot. Bonds5

About N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide

N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 18571853) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID18571853
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN1CCCc2cc(C(CNC(=O)C(=O)NC3CCCC3)N3CCOCC3)ccc21
InChIInChI=1S/C23H34N4O3/c1-26-10-4-5-17-15-18(8-9-20(17)26)21(27-11-13-30-14-12-27)16-24-22(28)23(29)25-19-6-2-3-7-19/h8-9,15,19,21H,2-7,10-14,16H2,1H3,(H,24,28)(H,25,29)
InChIKeySDUJAHRQRLHCPC-UHFFFAOYSA-N
XLogP1.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide (CID 18571853) is N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide is CN1CCCc2cc(C(CNC(=O)C(=O)NC3CCCC3)N3CCOCC3)ccc21.
What is the InChIKey of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is SDUJAHRQRLHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-26-10-4-5-17-15-18(8-9-20(17)26)21(27-11-13-30-14-12-27)16-24-22(28)23(29)25-19-6-2-3-7-19/h8-9,15,19,21H,2-7,10-14,16H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 414.55 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 18571853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).