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

C28H27N5O3 — CID 51646614

IUPACN-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2N1
InChIInChI=1S/C28H27N5O3/c34-26-18-33(25-13-7-6-12-23(25)31-26)28(36)32-24(16-19-8-2-1-3-9-19)27(35)29-15-14-20-17-30-22-11-5-4-10-21(20)22/h1-13,17,24,30H,14-16,18H2,(H,29,35)(H,31,34)(H,32,36)/t24-/m1/s1
InChIKeyRRPPNDTZAUTCBW-XMMPIXPASA-N
MW481.56 g/mol
LogP3.61
Rot. Bonds7

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

N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 51646614) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID51646614
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2N1
InChIInChI=1S/C28H27N5O3/c34-26-18-33(25-13-7-6-12-23(25)31-26)28(36)32-24(16-19-8-2-1-3-9-19)27(35)29-15-14-20-17-30-22-11-5-4-10-21(20)22/h1-13,17,24,30H,14-16,18H2,(H,29,35)(H,31,34)(H,32,36)/t24-/m1/s1
InChIKeyRRPPNDTZAUTCBW-XMMPIXPASA-N
XLogP3.61
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8016683
2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 7097050
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415
(2R)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 10918400
2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18231719
2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18239593
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 73401825
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
CID 42701396
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
2-[[2-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]acetic acid
CID 78064906
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 51646614) is N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is O=C1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2N1.
What is the InChIKey of N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is RRPPNDTZAUTCBW-XMMPIXPASA-N. The full InChI is InChI=1S/C28H27N5O3/c34-26-18-33(25-13-7-6-12-23(25)31-26)28(36)32-24(16-19-8-2-1-3-9-19)27(35)29-15-14-20-17-30-22-11-5-4-10-21(20)22/h1-13,17,24,30H,14-16,18H2,(H,29,35)(H,31,34)(H,32,36)/t24-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 51646614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).