4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one

C26H24ClN3O2 — CID 164627412

IUPAC4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H24ClN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2
InChIKeyNNGQLHVVYDEXMW-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.32
Rot. Bonds6

About 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one

4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one (PubChem CID 164627412) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
PubChem CID164627412
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H24ClN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2
InChIKeyNNGQLHVVYDEXMW-UHFFFAOYSA-N
XLogP5.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one with MolForge

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Related Compounds

3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
CID 2810627
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
CID 2737834
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
9-[2-(3-Indolyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537368
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 25127802
N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494486
N-cyclopropyl-N-[[1-(2-methoxyethyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494775
Benzamide, 4-chloro-N-(1-(2-(1-methyl-1H-indol-3-yl)ethyl)-4-piperidinyl)-
CID 213642
4-chloro-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 9
CID 44603603
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2416759
3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide
CID 2557659
2-chloro-N-[(1Z)-1-(1-methyl-1H-indol-3-yl)-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 17573722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one (CID 164627412) is 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The InChIKey is NNGQLHVVYDEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2.
What are the key properties of 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one has a molecular weight of 445.95 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one is sourced from PubChem (CID 164627412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).