(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

C26H30ClN3O2 — CID 89483257

IUPAC(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc(Cl)c2)CCO1
InChIInChI=1S/C26H30ClN3O2/c1-19(2)15-30(17-22-8-4-7-21-9-5-11-28-25(21)22)26(31)24-18-29(12-13-32-24)16-20-6-3-10-23(27)14-20/h3-11,14,19,24H,12-13,15-18H2,1-2H3/t24-/m1/s1
InChIKeyFTQUMCPSTZYIDD-XMMPIXPASA-N
MW452.00 g/mol
LogP4.77
Rot. Bonds7

About (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (PubChem CID 89483257) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
PubChem CID89483257
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc(Cl)c2)CCO1
InChIInChI=1S/C26H30ClN3O2/c1-19(2)15-30(17-22-8-4-7-21-9-5-11-28-25(21)22)26(31)24-18-29(12-13-32-24)16-20-6-3-10-23(27)14-20/h3-11,14,19,24H,12-13,15-18H2,1-2H3/t24-/m1/s1
InChIKeyFTQUMCPSTZYIDD-XMMPIXPASA-N
XLogP4.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483313
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483206
(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483165
(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755477
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)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755327
(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755474
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
(2R)-4-(1H-benzimidazol-4-ylmethyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 138577838
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(1,2-dihydroquinolin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 89483120

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (CID 89483257) is (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is CC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc(Cl)c2)CCO1.
What is the InChIKey of (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The InChIKey is FTQUMCPSTZYIDD-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-19(2)15-30(17-22-8-4-7-21-9-5-11-28-25(21)22)26(31)24-18-29(12-13-32-24)16-20-6-3-10-23(27)14-20/h3-11,14,19,24H,12-13,15-18H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 89483257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).