[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid

C37H53N7O7Si — CID 90280952

IUPAC[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid
SMILESCC1CN(c2ccncc2NC(=O)c2nc3cc(N4CCOCC4)ccc3cc2NC(=O)O)CC(NC(=O)OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H53N7O7Si/c1-23-21-44(22-29(42-35(48)50-36(2,3)4)32(23)51-52(8,9)37(5,6)7)30-12-13-38-20-28(30)40-33(45)31-27(41-34(46)47)18-24-10-11-25(19-26(24)39-31)43-14-16-49-17-15-43/h10-13,18-20,23,29,32,41H,14-17,21-22H2,1-9H3,(H,40,45)(H,42,48)(H,46,47)
InChIKeyYKGKPAJNYXOMTJ-UHFFFAOYSA-N
MW735.96 g/mol
LogP6.55
Rot. Bonds8

About [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid

[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid (PubChem CID 90280952) has the molecular formula C37H53N7O7Si and a molecular weight of 735.96 g/mol. Its IUPAC name is [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid
PubChem CID90280952
Molecular FormulaC37H53N7O7Si
Molecular Weight735.96 g/mol
Exact Mass735.38
IUPAC Name[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid
SMILESCC1CN(c2ccncc2NC(=O)c2nc3cc(N4CCOCC4)ccc3cc2NC(=O)O)CC(NC(=O)OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H53N7O7Si/c1-23-21-44(22-29(42-35(48)50-36(2,3)4)32(23)51-52(8,9)37(5,6)7)30-12-13-38-20-28(30)40-33(45)31-27(41-34(46)47)18-24-10-11-25(19-26(24)39-31)43-14-16-49-17-15-43/h10-13,18-20,23,29,32,41H,14-17,21-22H2,1-9H3,(H,40,45)(H,42,48)(H,46,47)
InChIKeyYKGKPAJNYXOMTJ-UHFFFAOYSA-N
XLogP6.55
TPSA167.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.96
LogP ≤ 56.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid?
The IUPAC name of [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid (CID 90280952) is [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid.
What is the SMILES notation for [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid?
The canonical SMILES for [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid is CC1CN(c2ccncc2NC(=O)c2nc3cc(N4CCOCC4)ccc3cc2NC(=O)O)CC(NC(=O)OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid?
The InChIKey is YKGKPAJNYXOMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53N7O7Si/c1-23-21-44(22-29(42-35(48)50-36(2,3)4)32(23)51-52(8,9)37(5,6)7)30-12-13-38-20-28(30)40-33(45)31-27(41-34(46)47)18-24-10-11-25(19-26(24)39-31)43-14-16-49-17-15-43/h10-13,18-20,23,29,32,41H,14-17,21-22H2,1-9H3,(H,40,45)(H,42,48)(H,46,47).
What are the key properties of [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid?
[2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid has a molecular weight of 735.96 g/mol, XLogP of 6.55, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamoyl]-7-morpholin-4-ylquinolin-3-yl]carbamic acid is sourced from PubChem (CID 90280952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).