2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

C32H34F2N6O3 — CID 50908277

IUPAC2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
SMILESCc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H34F2N6O3/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38)
InChIKeyHEFLWBQLOLYBGY-UHFFFAOYSA-N
MW588.66 g/mol
LogP5.48
Rot. Bonds8

About 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (PubChem CID 50908277) has the molecular formula C32H34F2N6O3 and a molecular weight of 588.66 g/mol. Its IUPAC name is 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.

Molecular Properties

Compound Name2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
PubChem CID50908277
Molecular FormulaC32H34F2N6O3
Molecular Weight588.66 g/mol
Exact Mass588.27
IUPAC Name2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
SMILESCc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H34F2N6O3/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38)
InChIKeyHEFLWBQLOLYBGY-UHFFFAOYSA-N
XLogP5.48
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The IUPAC name of 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (CID 50908277) is 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.
What is the SMILES notation for 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The canonical SMILES for 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is Cc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The InChIKey is HEFLWBQLOLYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O3/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38).
What are the key properties of 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine has a molecular weight of 588.66 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is sourced from PubChem (CID 50908277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).