(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C25H36N4O4 — CID 163986887

IUPAC(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOC1=CC2=C(CCCNC(C)=O)C=C([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)NC2C=C1
InChIInChI=1S/C25H36N4O4/c1-16(29(19-6-7-19)25(31)24-15-26-11-12-33-24)23-13-18(5-4-10-27-17(2)30)21-14-20(32-3)8-9-22(21)28-23/h8-9,13-14,16,19,22,24,26,28H,4-7,10-12,15H2,1-3H3,(H,27,30)/t16-,22?,24-/m1/s1
InChIKeyTXCYKOQWGKRYCU-LZHFMXRDSA-N
MW456.59 g/mol
LogP1.52
Rot. Bonds9

About (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 163986887) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID163986887
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOC1=CC2=C(CCCNC(C)=O)C=C([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)NC2C=C1
InChIInChI=1S/C25H36N4O4/c1-16(29(19-6-7-19)25(31)24-15-26-11-12-33-24)23-13-18(5-4-10-27-17(2)30)21-14-20(32-3)8-9-22(21)28-23/h8-9,13-14,16,19,22,24,26,28H,4-7,10-12,15H2,1-3H3,(H,27,30)/t16-,22?,24-/m1/s1
InChIKeyTXCYKOQWGKRYCU-LZHFMXRDSA-N
XLogP1.52
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065133
methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
CID 118313840
methyl N-[3-[5-[1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-pyridin-3-ylthiophen-2-yl]propyl]carbamate
CID 118313850
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 90065007
methyl N-[2-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-methoxyphenoxy]ethyl]carbamate
CID 118313716
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(4-methylphenyl)imidazol-1-yl]propyl]carbamate
CID 118313141
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(4-methoxybutyl)-5-methylphenyl]ethyl]morpholine-2-carboxamide
CID 90065098
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide
CID 90065236
methyl N-[3-[2-(4-chlorophenyl)-4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]imidazol-1-yl]propyl]carbamate
CID 118313147
methyl N-[3-[5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(3-fluoro-2-hydroxyphenyl)thiophen-3-yl]propyl]carbamate
CID 90065299

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 163986887) is (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is COC1=CC2=C(CCCNC(C)=O)C=C([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)NC2C=C1.
What is the InChIKey of (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is TXCYKOQWGKRYCU-LZHFMXRDSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-16(29(19-6-7-19)25(31)24-15-26-11-12-33-24)23-13-18(5-4-10-27-17(2)30)21-14-20(32-3)8-9-22(21)28-23/h8-9,13-14,16,19,22,24,26,28H,4-7,10-12,15H2,1-3H3,(H,27,30)/t16-,22?,24-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 163986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).