2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine

C32H35F2N5O2 — CID 123257246

IUPAC2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(C3CC3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C32H35F2N5O2/c1-18(2)9-24-17-39(7-8-41-24)29-13-27(25(16-36-29)21-10-23(40-4)15-35-14-21)37-32-19(3)31(20-5-6-20)38-28-12-22(33)11-26(34)30(28)32/h10-16,18,20,24H,5-9,17H2,1-4H3,(H,36,37,38)
InChIKeyFYDXBEKPNCZMOI-UHFFFAOYSA-N
MW559.66 g/mol
LogP7.16
Rot. Bonds8

About 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine

2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine (PubChem CID 123257246) has the molecular formula C32H35F2N5O2 and a molecular weight of 559.66 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine
PubChem CID123257246
Molecular FormulaC32H35F2N5O2
Molecular Weight559.66 g/mol
Exact Mass559.28
IUPAC Name2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(C3CC3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C32H35F2N5O2/c1-18(2)9-24-17-39(7-8-41-24)29-13-27(25(16-36-29)21-10-23(40-4)15-35-14-21)37-32-19(3)31(20-5-6-20)38-28-12-22(33)11-26(34)30(28)32/h10-16,18,20,24H,5-9,17H2,1-4H3,(H,36,37,38)
InChIKeyFYDXBEKPNCZMOI-UHFFFAOYSA-N
XLogP7.16
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.66
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine?
The IUPAC name of 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine (CID 123257246) is 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine?
The canonical SMILES for 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(C3CC3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine?
The InChIKey is FYDXBEKPNCZMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5O2/c1-18(2)9-24-17-39(7-8-41-24)29-13-27(25(16-36-29)21-10-23(40-4)15-35-14-21)37-32-19(3)31(20-5-6-20)38-28-12-22(33)11-26(34)30(28)32/h10-16,18,20,24H,5-9,17H2,1-4H3,(H,36,37,38).
What are the key properties of 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine?
2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine has a molecular weight of 559.66 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine is sourced from PubChem (CID 123257246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).