tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate

C27H30N4O4 — CID 126418441

IUPACtert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C27H30N4O4/c1-16-12-24(32)29-21-14-18(10-11-19(16)21)28-25(33)22(30-26(34)35-27(2,3)4)13-17-15-31(5)23-9-7-6-8-20(17)23/h6-12,14-15,22H,13H2,1-5H3,(H,28,33)(H,29,32)(H,30,34)/t22-/m1/s1
InChIKeyPPQOPTXWFITDMW-JOCHJYFZSA-N
MW474.56 g/mol
LogP4.40
Rot. Bonds5

About tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 126418441) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID126418441
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Nametert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C27H30N4O4/c1-16-12-24(32)29-21-14-18(10-11-19(16)21)28-25(33)22(30-26(34)35-27(2,3)4)13-17-15-31(5)23-9-7-6-8-20(17)23/h6-12,14-15,22H,13H2,1-5H3,(H,28,33)(H,29,32)(H,30,34)/t22-/m1/s1
InChIKeyPPQOPTXWFITDMW-JOCHJYFZSA-N
XLogP4.40
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166669213
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CID 121239796
tert-butyl N-[3-(1-methylindol-3-yl)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
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tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate (CID 126418441) is tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate is Cc1cc(=O)[nH]c2cc(NC(=O)[C@@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is PPQOPTXWFITDMW-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-16-12-24(32)29-21-14-18(10-11-19(16)21)28-25(33)22(30-26(34)35-27(2,3)4)13-17-15-31(5)23-9-7-6-8-20(17)23/h6-12,14-15,22H,13H2,1-5H3,(H,28,33)(H,29,32)(H,30,34)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 474.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 126418441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).