N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H32F2N6O2 — CID 50906788

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOC(C)(C)C1
InChIInChI=1S/C30H32F2N6O2/c1-19-27(23-6-4-5-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)36-25-16-21(37-8-11-39-12-9-37)17-34-29(25)38-10-13-40-30(2,3)18-38/h4-7,14-17H,8-13,18H2,1-3H3,(H,35,36)
InChIKeyDWTGIDJATYDYTQ-UHFFFAOYSA-N
MW546.62 g/mol
LogP5.47
Rot. Bonds5

About N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906788) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906788
Molecular FormulaC30H32F2N6O2
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOC(C)(C)C1
InChIInChI=1S/C30H32F2N6O2/c1-19-27(23-6-4-5-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)36-25-16-21(37-8-11-39-12-9-37)17-34-29(25)38-10-13-40-30(2,3)18-38/h4-7,14-17H,8-13,18H2,1-3H3,(H,35,36)
InChIKeyDWTGIDJATYDYTQ-UHFFFAOYSA-N
XLogP5.47
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50906788) is N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is DWTGIDJATYDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2/c1-19-27(23-6-4-5-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)36-25-16-21(37-8-11-39-12-9-37)17-34-29(25)38-10-13-40-30(2,3)18-38/h4-7,14-17H,8-13,18H2,1-3H3,(H,35,36).
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 546.62 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).