N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C22H23N5O3 — CID 8016683

IUPACN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O3/c28-20(23-11-9-15-13-25-17-6-2-1-5-16(15)17)10-12-24-22(30)27-14-21(29)26-18-7-3-4-8-19(18)27/h1-8,13,25H,9-12,14H2,(H,23,28)(H,24,30)(H,26,29)
InChIKeyNMPVEWXFMQLRFK-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.38
Rot. Bonds6

About N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 8016683) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID8016683
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O3/c28-20(23-11-9-15-13-25-17-6-2-1-5-16(15)17)10-12-24-22(30)27-14-21(29)26-18-7-3-4-8-19(18)27/h1-8,13,25H,9-12,14H2,(H,23,28)(H,24,30)(H,26,29)
InChIKeyNMPVEWXFMQLRFK-UHFFFAOYSA-N
XLogP2.38
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 51646614
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]-2-[(6S)-6,9,9-trimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetamide
CID 41090316
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768453
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344961
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 8016683) is N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is NMPVEWXFMQLRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-20(23-11-9-15-13-25-17-6-2-1-5-16(15)17)10-12-24-22(30)27-14-21(29)26-18-7-3-4-8-19(18)27/h1-8,13,25H,9-12,14H2,(H,23,28)(H,24,30)(H,26,29).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 8016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).