tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate

C30H37N5O7 — CID 170309325

IUPACtert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate
SMILESCc1cc(=O)[nH]c2c(OCCN(C)C(=O)OC(C)(C)C)cc(NC(=O)c3cc4c(nc3N3CCOCC3)COC4)cc12
InChIInChI=1S/C30H37N5O7/c1-18-12-25(36)33-26-21(18)14-20(15-24(26)41-11-6-34(5)29(38)42-30(2,3)4)31-28(37)22-13-19-16-40-17-23(19)32-27(22)35-7-9-39-10-8-35/h12-15H,6-11,16-17H2,1-5H3,(H,31,37)(H,33,36)
InChIKeyXSERWLGUXZAIMY-UHFFFAOYSA-N
MW579.65 g/mol
LogP3.60
Rot. Bonds7

About tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate

tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate (PubChem CID 170309325) has the molecular formula C30H37N5O7 and a molecular weight of 579.65 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate
PubChem CID170309325
Molecular FormulaC30H37N5O7
Molecular Weight579.65 g/mol
Exact Mass579.27
IUPAC Nametert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate
SMILESCc1cc(=O)[nH]c2c(OCCN(C)C(=O)OC(C)(C)C)cc(NC(=O)c3cc4c(nc3N3CCOCC3)COC4)cc12
InChIInChI=1S/C30H37N5O7/c1-18-12-25(36)33-26-21(18)14-20(15-24(26)41-11-6-34(5)29(38)42-30(2,3)4)31-28(37)22-13-19-16-40-17-23(19)32-27(22)35-7-9-39-10-8-35/h12-15H,6-11,16-17H2,1-5H3,(H,31,37)(H,33,36)
InChIKeyXSERWLGUXZAIMY-UHFFFAOYSA-N
XLogP3.60
TPSA135.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate (CID 170309325) is tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate is Cc1cc(=O)[nH]c2c(OCCN(C)C(=O)OC(C)(C)C)cc(NC(=O)c3cc4c(nc3N3CCOCC3)COC4)cc12.
What is the InChIKey of tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate?
The InChIKey is XSERWLGUXZAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O7/c1-18-12-25(36)33-26-21(18)14-20(15-24(26)41-11-6-34(5)29(38)42-30(2,3)4)31-28(37)22-13-19-16-40-17-23(19)32-27(22)35-7-9-39-10-8-35/h12-15H,6-11,16-17H2,1-5H3,(H,31,37)(H,33,36).
What are the key properties of tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate has a molecular weight of 579.65 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 170309325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).