tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate

C22H30ClN3O5 — CID 69441975

IUPACtert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate
SMILESCOc1ccc2ncc(Cl)c(C(O)CN3CCOC(CNC(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C22H30ClN3O5/c1-22(2,3)31-21(28)25-10-15-12-26(7-8-30-15)13-19(27)20-16-9-14(29-4)5-6-18(16)24-11-17(20)23/h5-6,9,11,15,19,27H,7-8,10,12-13H2,1-4H3,(H,25,28)
InChIKeyCFWVQULBNJXQLO-UHFFFAOYSA-N
MW451.95 g/mol
LogP3.16
Rot. Bonds6

About tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate

tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate (PubChem CID 69441975) has the molecular formula C22H30ClN3O5 and a molecular weight of 451.95 g/mol. Its IUPAC name is tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate
PubChem CID69441975
Molecular FormulaC22H30ClN3O5
Molecular Weight451.95 g/mol
Exact Mass451.19
IUPAC Nametert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate
SMILESCOc1ccc2ncc(Cl)c(C(O)CN3CCOC(CNC(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C22H30ClN3O5/c1-22(2,3)31-21(28)25-10-15-12-26(7-8-30-15)13-19(27)20-16-9-14(29-4)5-6-18(16)24-11-17(20)23/h5-6,9,11,15,19,27H,7-8,10,12-13H2,1-4H3,(H,25,28)
InChIKeyCFWVQULBNJXQLO-UHFFFAOYSA-N
XLogP3.16
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate (CID 69441975) is tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate is COc1ccc2ncc(Cl)c(C(O)CN3CCOC(CNC(=O)OC(C)(C)C)C3)c2c1.
What is the InChIKey of tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate?
The InChIKey is CFWVQULBNJXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O5/c1-22(2,3)31-21(28)25-10-15-12-26(7-8-30-15)13-19(27)20-16-9-14(29-4)5-6-18(16)24-11-17(20)23/h5-6,9,11,15,19,27H,7-8,10,12-13H2,1-4H3,(H,25,28).
What are the key properties of tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate?
tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate has a molecular weight of 451.95 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 69441975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).