4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide

C26H33ClN4O2 — CID 89483120

IUPAC4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
SMILESCc1cc(CN2CCOC(C(=O)N(Cc3ccc4c(c3)C=CCN4)CC(C)C)C2)cc(Cl)n1
InChIInChI=1S/C26H33ClN4O2/c1-18(2)14-31(16-20-6-7-23-22(12-20)5-4-8-28-23)26(32)24-17-30(9-10-33-24)15-21-11-19(3)29-25(27)13-21/h4-7,11-13,18,24,28H,8-10,14-17H2,1-3H3
InChIKeyMASNJBBVAXOGDO-UHFFFAOYSA-N
MW469.03 g/mol
LogP4.37
Rot. Bonds7

About 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide

4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide (PubChem CID 89483120) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
PubChem CID89483120
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC Name4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
SMILESCc1cc(CN2CCOC(C(=O)N(Cc3ccc4c(c3)C=CCN4)CC(C)C)C2)cc(Cl)n1
InChIInChI=1S/C26H33ClN4O2/c1-18(2)14-31(16-20-6-7-23-22(12-20)5-4-8-28-23)26(32)24-17-30(9-10-33-24)15-21-11-19(3)29-25(27)13-21/h4-7,11-13,18,24,28H,8-10,14-17H2,1-3H3
InChIKeyMASNJBBVAXOGDO-UHFFFAOYSA-N
XLogP4.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432188
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483257
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432210
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 57432145
(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432219
4-benzyl-N-(3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 58080482
(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755477
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-(1,3-thiazol-4-ylmethyl)morpholine-2-carboxamide
CID 57432164
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432220
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755327

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide (CID 89483120) is 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide is Cc1cc(CN2CCOC(C(=O)N(Cc3ccc4c(c3)C=CCN4)CC(C)C)C2)cc(Cl)n1.
What is the InChIKey of 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide?
The InChIKey is MASNJBBVAXOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-18(2)14-31(16-20-6-7-23-22(12-20)5-4-8-28-23)26(32)24-17-30(9-10-33-24)15-21-11-19(3)29-25(27)13-21/h4-7,11-13,18,24,28H,8-10,14-17H2,1-3H3.
What are the key properties of 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide?
4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide has a molecular weight of 469.03 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 89483120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).