(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide

C23H30BrN3O3 — CID 126583426

IUPAC(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)nc2c(Br)cccc12
InChIInChI=1S/C23H30BrN3O3/c1-2-3-4-11-29-20-13-16(26-22-18(20)6-5-7-19(22)24)15-27(17-8-9-17)23(28)21-14-25-10-12-30-21/h5-7,13,17,21,25H,2-4,8-12,14-15H2,1H3/t21-/m1/s1
InChIKeyOKYMRLJJTXRDPG-OAQYLSRUSA-N
MW476.42 g/mol
LogP4.05
Rot. Bonds9

About (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 126583426) has the molecular formula C23H30BrN3O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID126583426
Molecular FormulaC23H30BrN3O3
Molecular Weight476.42 g/mol
Exact Mass475.15
IUPAC Name(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)nc2c(Br)cccc12
InChIInChI=1S/C23H30BrN3O3/c1-2-3-4-11-29-20-13-16(26-22-18(20)6-5-7-19(22)24)15-27(17-8-9-17)23(28)21-14-25-10-12-30-21/h5-7,13,17,21,25H,2-4,8-12,14-15H2,1H3/t21-/m1/s1
InChIKeyOKYMRLJJTXRDPG-OAQYLSRUSA-N
XLogP4.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.05
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-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 126583160
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
N-cyclopropyl-N-[[1-(2-methoxyphenyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494035
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide (CID 126583426) is (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide is CCCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)nc2c(Br)cccc12.
What is the InChIKey of (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is OKYMRLJJTXRDPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30BrN3O3/c1-2-3-4-11-29-20-13-16(26-22-18(20)6-5-7-19(22)24)15-27(17-8-9-17)23(28)21-14-25-10-12-30-21/h5-7,13,17,21,25H,2-4,8-12,14-15H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 476.42 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 126583426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).