2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide

C24H21N5O2 — CID 91668553

IUPAC2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
SMILESN#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)
InChIKeyRVTAACJVJXEMFR-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.83
Rot. Bonds6

About 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide

2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide (PubChem CID 91668553) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
PubChem CID91668553
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
SMILESN#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)
InChIKeyRVTAACJVJXEMFR-UHFFFAOYSA-N
XLogP3.83
TPSA119.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2s)-2-Amino-N-[4-[(2-Amino-3-Cyano-1h-Indol-5-Yl)oxy]phenyl]-3-Hydroxy-Propanamide
CID 58619539
7-[4-(4-Benzylpiperazin-1-yl)-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005621
4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yloxy)-N-[1-(phenylmethyl)-4-piperidinyl]butanamide
CID 15005646
2-Azanyl-N-[4-[(3-Cyano-1h-Indol-5-Yl)oxy]phenyl]ethanamide
CID 91668556
N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-(2-phenylethyl)piperazine-1-carboxamide;hydrochloride
CID 49860625
4-benzyl-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;hydrochloride
CID 49860647
1-[2-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-ethyl]-3-m-tolyl-urea
CID 646981
N-Cyclohexyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide
CID 9999105
N-Cyclohexyl-4-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide
CID 14281004
1-[4-[(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yl)oxy]-1-oxobutyl]-4-phenylpiperazine
CID 14281014
N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide(HCl)
CID 14281016
7-(4-Oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005642

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide (CID 91668553) is 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide is N#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12.
What is the InChIKey of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The InChIKey is RVTAACJVJXEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30).
What are the key properties of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 91668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).