tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate

C26H33N5O3 — CID 56666146

IUPACtert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(CNC(=O)c2cc(-c3cn[nH]c3)nc3ccccc23)CC1
InChIInChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)
InChIKeyYVGUSZYHTVQINQ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.69
Rot. Bonds6

About tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate (PubChem CID 56666146) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
PubChem CID56666146
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Nametert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(CNC(=O)c2cc(-c3cn[nH]c3)nc3ccccc23)CC1
InChIInChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)
InChIKeyYVGUSZYHTVQINQ-UHFFFAOYSA-N
XLogP4.69
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate (CID 56666146) is tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(CNC(=O)c2cc(-c3cn[nH]c3)nc3ccccc23)CC1.
What is the InChIKey of tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate?
The InChIKey is YVGUSZYHTVQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30).
What are the key properties of tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 56666146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).