2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide

C26H28N4O3 — CID 110251829

IUPAC2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(Cc3cn(C)c4cc(OC)ccc34)CCO2)nc2ccccc12
InChIInChI=1S/C26H28N4O3/c1-27-26(31)21-13-23(28-22-7-5-4-6-20(21)22)25-16-30(10-11-33-25)15-17-14-29(2)24-12-18(32-3)8-9-19(17)24/h4-9,12-14,25H,10-11,15-16H2,1-3H3,(H,27,31)
InChIKeyWLQUFJVIFXLOMZ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide

2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide (PubChem CID 110251829) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
PubChem CID110251829
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(Cc3cn(C)c4cc(OC)ccc34)CCO2)nc2ccccc12
InChIInChI=1S/C26H28N4O3/c1-27-26(31)21-13-23(28-22-7-5-4-6-20(21)22)25-16-30(10-11-33-25)15-17-14-29(2)24-12-18(32-3)8-9-19(17)24/h4-9,12-14,25H,10-11,15-16H2,1-3H3,(H,27,31)
InChIKeyWLQUFJVIFXLOMZ-UHFFFAOYSA-N
XLogP3.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92639052
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125023234
[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638405
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638425
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92639051
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92636941

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide (CID 110251829) is 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1cc(C2CN(Cc3cn(C)c4cc(OC)ccc34)CCO2)nc2ccccc12.
What is the InChIKey of 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is WLQUFJVIFXLOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-27-26(31)21-13-23(28-22-7-5-4-6-20(21)22)25-16-30(10-11-33-25)15-17-14-29(2)24-12-18(32-3)8-9-19(17)24/h4-9,12-14,25H,10-11,15-16H2,1-3H3,(H,27,31).
What are the key properties of 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 110251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).