N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C29H29F2N5O3S — CID 89485352

IUPACN-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1
InChIInChI=1S/C29H29F2N5O3S/c1-18-28(23-4-2-3-7-32-23)35-25-15-20(30)14-22(31)27(25)29(18)34-24-16-26(36-8-10-39-11-9-36)33-17-21(24)19-5-12-40(37,38)13-6-19/h2-4,7,14-17,19H,5-6,8-13H2,1H3,(H,33,34,35)
InChIKeyUCRYQBYZOQDAHS-UHFFFAOYSA-N
MW565.65 g/mol
LogP5.15
Rot. Bonds5

About N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 89485352) has the molecular formula C29H29F2N5O3S and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID89485352
Molecular FormulaC29H29F2N5O3S
Molecular Weight565.65 g/mol
Exact Mass565.20
IUPAC NameN-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1
InChIInChI=1S/C29H29F2N5O3S/c1-18-28(23-4-2-3-7-32-23)35-25-15-20(30)14-22(31)27(25)29(18)34-24-16-26(36-8-10-39-11-9-36)33-17-21(24)19-5-12-40(37,38)13-6-19/h2-4,7,14-17,19H,5-6,8-13H2,1H3,(H,33,34,35)
InChIKeyUCRYQBYZOQDAHS-UHFFFAOYSA-N
XLogP5.15
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-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 N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 89485352) is N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UCRYQBYZOQDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O3S/c1-18-28(23-4-2-3-7-32-23)35-25-15-20(30)14-22(31)27(25)29(18)34-24-16-26(36-8-10-39-11-9-36)33-17-21(24)19-5-12-40(37,38)13-6-19/h2-4,7,14-17,19H,5-6,8-13H2,1H3,(H,33,34,35).
What are the key properties of N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 565.65 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxothian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 89485352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).