cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone

C33H34F2N6O2 — CID 56597684

IUPACcyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C33H34F2N6O2/c1-20-31(26-4-2-3-9-36-26)39-28-17-23(34)16-25(35)30(28)32(20)38-27-18-29(40-12-14-43-15-13-40)37-19-24(27)21-7-10-41(11-8-21)33(42)22-5-6-22/h2-4,9,16-19,21-22H,5-8,10-15H2,1H3,(H,37,38,39)
InChIKeyBOXQGPKFYBEWIL-UHFFFAOYSA-N
MW584.67 g/mol
LogP5.97
Rot. Bonds6

About cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 56597684) has the molecular formula C33H34F2N6O2 and a molecular weight of 584.67 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID56597684
Molecular FormulaC33H34F2N6O2
Molecular Weight584.67 g/mol
Exact Mass584.27
IUPAC Namecyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C33H34F2N6O2/c1-20-31(26-4-2-3-9-36-26)39-28-17-23(34)16-25(35)30(28)32(20)38-27-18-29(40-12-14-43-15-13-40)37-19-24(27)21-7-10-41(11-8-21)33(42)22-5-6-22/h2-4,9,16-19,21-22H,5-8,10-15H2,1H3,(H,37,38,39)
InChIKeyBOXQGPKFYBEWIL-UHFFFAOYSA-N
XLogP5.97
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone (CID 56597684) is cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is BOXQGPKFYBEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N6O2/c1-20-31(26-4-2-3-9-36-26)39-28-17-23(34)16-25(35)30(28)32(20)38-27-18-29(40-12-14-43-15-13-40)37-19-24(27)21-7-10-41(11-8-21)33(42)22-5-6-22/h2-4,9,16-19,21-22H,5-8,10-15H2,1H3,(H,37,38,39).
What are the key properties of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 584.67 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56597684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).