tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate

C34H38F2N6O3 — CID 66632238

IUPACtert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C34H38F2N6O3/c1-21-31(26-7-5-6-10-37-26)40-28-18-23(35)17-25(36)30(28)32(21)39-27-19-29(41-13-15-44-16-14-41)38-20-24(27)22-8-11-42(12-9-22)33(43)45-34(2,3)4/h5-7,10,17-20,22H,8-9,11-16H2,1-4H3,(H,38,39,40)
InChIKeyHPUNKIOIZFXRGR-UHFFFAOYSA-N
MW616.71 g/mol
LogP6.97
Rot. Bonds5

About tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 66632238) has the molecular formula C34H38F2N6O3 and a molecular weight of 616.71 g/mol. Its IUPAC name is tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate
PubChem CID66632238
Molecular FormulaC34H38F2N6O3
Molecular Weight616.71 g/mol
Exact Mass616.30
IUPAC Nametert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C34H38F2N6O3/c1-21-31(26-7-5-6-10-37-26)40-28-18-23(35)17-25(36)30(28)32(21)39-27-19-29(41-13-15-44-16-14-41)38-20-24(27)22-8-11-42(12-9-22)33(43)45-34(2,3)4/h5-7,10,17-20,22H,8-9,11-16H2,1-4H3,(H,38,39,40)
InChIKeyHPUNKIOIZFXRGR-UHFFFAOYSA-N
XLogP6.97
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.71
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate (CID 66632238) is tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is HPUNKIOIZFXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O3/c1-21-31(26-7-5-6-10-37-26)40-28-18-23(35)17-25(36)30(28)32(21)39-27-19-29(41-13-15-44-16-14-41)38-20-24(27)22-8-11-42(12-9-22)33(43)45-34(2,3)4/h5-7,10,17-20,22H,8-9,11-16H2,1-4H3,(H,38,39,40).
What are the key properties of tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 616.71 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 66632238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).