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

C28H31FN6O3S — CID 68783405

IUPACN-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCS(O)(O)CC2)cnc1N1CCOCC1
InChIInChI=1S/C28H31FN6O3S/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-10-14-39(36,37)15-11-34)18-31-28(25)35-8-12-38-13-9-35/h2-7,16-18,36-37H,8-15H2,1H3,(H,32,33)
InChIKeyWESXYHAWIBZLRF-UHFFFAOYSA-N
MW550.66 g/mol
LogP5.29
Rot. Bonds5

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

N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 68783405) has the molecular formula C28H31FN6O3S and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID68783405
Molecular FormulaC28H31FN6O3S
Molecular Weight550.66 g/mol
Exact Mass550.22
IUPAC NameN-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCS(O)(O)CC2)cnc1N1CCOCC1
InChIInChI=1S/C28H31FN6O3S/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-10-14-39(36,37)15-11-34)18-31-28(25)35-8-12-38-13-9-35/h2-7,16-18,36-37H,8-15H2,1H3,(H,32,33)
InChIKeyWESXYHAWIBZLRF-UHFFFAOYSA-N
XLogP5.29
TPSA106.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
CID 59631479
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
CID 50906575
8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631140
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluoro-5-nitrophenyl)-3-methylquinolin-4-amine
CID 59631298
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine;ethyl 2-[(3-fluorophenyl)carbamoyl]-3-methylbutanoate
CID 67508210
N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
CID 67507904
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157054036
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinolin-4-amine
CID 50906572
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
CID 59631128
N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 59631208

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 68783405) is N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCS(O)(O)CC2)cnc1N1CCOCC1.
What is the InChIKey of N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is WESXYHAWIBZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3S/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-10-14-39(36,37)15-11-34)18-31-28(25)35-8-12-38-13-9-35/h2-7,16-18,36-37H,8-15H2,1H3,(H,32,33).
What are the key properties of N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 550.66 g/mol, XLogP of 5.29, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 68783405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).