(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide

C21H32N4O4 — CID 118457699

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide
SMILESC[C@H](c1cc(OCCNO)c2c(n1)CCCC2)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C21H32N4O4/c1-14(25(15-6-7-15)21(26)20-13-22-8-10-29-20)18-12-19(28-11-9-23-27)16-4-2-3-5-17(16)24-18/h12,14-15,20,22-23,27H,2-11,13H2,1H3/t14-,20-/m1/s1
InChIKeyICHQCTYRIVXBPB-JLTOFOAXSA-N
MW404.51 g/mol
LogP1.36
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide (PubChem CID 118457699) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide
PubChem CID118457699
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide
SMILESC[C@H](c1cc(OCCNO)c2c(n1)CCCC2)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C21H32N4O4/c1-14(25(15-6-7-15)21(26)20-13-22-8-10-29-20)18-12-19(28-11-9-23-27)16-4-2-3-5-17(16)24-18/h12,14-15,20,22-23,27H,2-11,13H2,1H3/t14-,20-/m1/s1
InChIKeyICHQCTYRIVXBPB-JLTOFOAXSA-N
XLogP1.36
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide (CID 118457699) is (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide is C[C@H](c1cc(OCCNO)c2c(n1)CCCC2)N(C(=O)[C@H]1CNCCO1)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is ICHQCTYRIVXBPB-JLTOFOAXSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-14(25(15-6-7-15)21(26)20-13-22-8-10-29-20)18-12-19(28-11-9-23-27)16-4-2-3-5-17(16)24-18/h12,14-15,20,22-23,27H,2-11,13H2,1H3/t14-,20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 118457699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).