N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide

C28H24N4O2 — CID 15104626

IUPACN-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C28H24N4O2/c33-27(22-14-20-10-4-6-12-24(20)29-18-22)32-26(28(34)31-16-19-8-2-1-3-9-19)15-21-17-30-25-13-7-5-11-23(21)25/h1-14,17-18,26,30H,15-16H2,(H,31,34)(H,32,33)/t26-/m1/s1
InChIKeyUOKGBYPOUSZWRS-AREMUKBSSA-N
MW448.53 g/mol
LogP4.37
Rot. Bonds7

About N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide

N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide (PubChem CID 15104626) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
PubChem CID15104626
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C28H24N4O2/c33-27(22-14-20-10-4-6-12-24(20)29-18-22)32-26(28(34)31-16-19-8-2-1-3-9-19)15-21-17-30-25-13-7-5-11-23(21)25/h1-14,17-18,26,30H,15-16H2,(H,31,34)(H,32,33)/t26-/m1/s1
InChIKeyUOKGBYPOUSZWRS-AREMUKBSSA-N
XLogP4.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide (CID 15104626) is N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The InChIKey is UOKGBYPOUSZWRS-AREMUKBSSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-27(22-14-20-10-4-6-12-24(20)29-18-22)32-26(28(34)31-16-19-8-2-1-3-9-19)15-21-17-30-25-13-7-5-11-23(21)25/h1-14,17-18,26,30H,15-16H2,(H,31,34)(H,32,33)/t26-/m1/s1.
What are the key properties of N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide?
N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 15104626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).