(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide

C22H30ClN3O3 — CID 126583160

IUPAC(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCOC1CC(CN(C(=O)[C@H]2CNCCO2)C2CC2)=Nc2c(Cl)cccc21
InChIInChI=1S/C22H30ClN3O3/c1-2-3-10-28-19-12-15(25-21-17(19)5-4-6-18(21)23)14-26(16-7-8-16)22(27)20-13-24-9-11-29-20/h4-6,16,19-20,24H,2-3,7-14H2,1H3/t19?,20-/m1/s1
InChIKeyKKUAJZIYQQKPAD-GFOWMXPYSA-N
MW419.95 g/mol
LogP3.65
Rot. Bonds8

About (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 126583160) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID126583160
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC Name(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCOC1CC(CN(C(=O)[C@H]2CNCCO2)C2CC2)=Nc2c(Cl)cccc21
InChIInChI=1S/C22H30ClN3O3/c1-2-3-10-28-19-12-15(25-21-17(19)5-4-6-18(21)23)14-26(16-7-8-16)22(27)20-13-24-9-11-29-20/h4-6,16,19-20,24H,2-3,7-14H2,1H3/t19?,20-/m1/s1
InChIKeyKKUAJZIYQQKPAD-GFOWMXPYSA-N
XLogP3.65
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 126583426
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-2-carboxamide
CID 119748611
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
CID 119688888
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
N-(1-benzoylpiperidin-4-yl)-N-propylmorpholine-2-carboxamide
CID 119762655
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate
CID 89026730
N-cyclopropyl-N-(3-methylbutyl)morpholine-2-carboxamide;hydrochloride
CID 119728977
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide (CID 126583160) is (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide is CCCCOC1CC(CN(C(=O)[C@H]2CNCCO2)C2CC2)=Nc2c(Cl)cccc21.
What is the InChIKey of (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is KKUAJZIYQQKPAD-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H30ClN3O3/c1-2-3-10-28-19-12-15(25-21-17(19)5-4-6-18(21)23)14-26(16-7-8-16)22(27)20-13-24-9-11-29-20/h4-6,16,19-20,24H,2-3,7-14H2,1H3/t19?,20-/m1/s1.
What are the key properties of (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 419.95 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 126583160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).