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

C29H30F2N6O — CID 56597846

IUPAC5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCNCC1
InChIInChI=1S/C29H30F2N6O/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(30)14-22(31)27(25)29(18)35-24-16-26(37-10-12-38-13-11-37)34-17-21(24)19-5-8-32-9-6-19/h2-4,7,14-17,19,32H,5-6,8-13H2,1H3,(H,34,35,36)
InChIKeyDWHORORWWAFUIY-UHFFFAOYSA-N
MW516.60 g/mol
LogP5.33
Rot. Bonds5

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

5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56597846) has the molecular formula C29H30F2N6O and a molecular weight of 516.60 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID56597846
Molecular FormulaC29H30F2N6O
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCNCC1
InChIInChI=1S/C29H30F2N6O/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(30)14-22(31)27(25)29(18)35-24-16-26(37-10-12-38-13-11-37)34-17-21(24)19-5-8-32-9-6-19/h2-4,7,14-17,19,32H,5-6,8-13H2,1H3,(H,34,35,36)
InChIKeyDWHORORWWAFUIY-UHFFFAOYSA-N
XLogP5.33
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (CID 56597846) is 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCNCC1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is DWHORORWWAFUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(30)14-22(31)27(25)29(18)35-24-16-26(37-10-12-38-13-11-37)34-17-21(24)19-5-8-32-9-6-19/h2-4,7,14-17,19,32H,5-6,8-13H2,1H3,(H,34,35,36).
What are the key properties of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 516.60 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-piperidin-4-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56597846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).