N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide

C30H29ClN4O3 — CID 118243507

IUPACN-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc3c2C#N)cc1
InChIInChI=1S/C30H29ClN4O3/c1-19(36)34-30(2,3)21-6-10-23(11-7-21)38-29-26(18-32)25-16-24(27(31)17-28(25)33-29)20-4-8-22(9-5-20)35-12-14-37-15-13-35/h4-11,16-17,33H,12-15H2,1-3H3,(H,34,36)
InChIKeyXSWWPZWUEAKVFV-UHFFFAOYSA-N
MW529.04 g/mol
LogP6.36
Rot. Bonds6

About N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide

N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide (PubChem CID 118243507) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide
PubChem CID118243507
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC NameN-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc3c2C#N)cc1
InChIInChI=1S/C30H29ClN4O3/c1-19(36)34-30(2,3)21-6-10-23(11-7-21)38-29-26(18-32)25-16-24(27(31)17-28(25)33-29)20-4-8-22(9-5-20)35-12-14-37-15-13-35/h4-11,16-17,33H,12-15H2,1-3H3,(H,34,36)
InChIKeyXSWWPZWUEAKVFV-UHFFFAOYSA-N
XLogP6.36
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 118243514
(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
CID 144691100
[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone
CID 137000426
N-[2-[4-[3-benzyl-5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-2-yl]oxyphenyl]propan-2-yl]acetamide
CID 123402642
[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone
CID 137000373
4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-3-cyano-1H-indol-5-yl]phenyl]cyclohex-3-ene-1-carboxylic acid
CID 118243506
N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
CID 11545168
methyl (2S)-2-acetamido-2-(2,6-dichloro-4-morpholin-4-ylanilino)propanoate
CID 175335320
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
(3R,6R,6aR)-6-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144618756
4-(2,4-dichlorophenyl)-5-(2-hydroxyethylamino)-2-morpholin-4-ylthiophene-3-carbonitrile;N-methylformamide
CID 143838338
tert-butyl (3S)-3-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]pyrrolidine-1-carboxylate
CID 118537671

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide (CID 118243507) is N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Oc2[nH]c3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)cc3c2C#N)cc1.
What is the InChIKey of N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The InChIKey is XSWWPZWUEAKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c1-19(36)34-30(2,3)21-6-10-23(11-7-21)38-29-26(18-32)25-16-24(27(31)17-28(25)33-29)20-4-8-22(9-5-20)35-12-14-37-15-13-35/h4-11,16-17,33H,12-15H2,1-3H3,(H,34,36).
What are the key properties of N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide?
N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide has a molecular weight of 529.04 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 118243507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).