N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

C28H29FN6O2 — CID 50905280

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H29FN6O2/c1-19-26(20-4-3-7-30-17-20)32-23-6-2-5-22(29)25(23)27(19)33-24-16-21(34-8-12-36-13-9-34)18-31-28(24)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33)
InChIKeyNHDOQAIJFBBYLL-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.56
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (PubChem CID 50905280) has the molecular formula C28H29FN6O2 and a molecular weight of 500.58 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
PubChem CID50905280
Molecular FormulaC28H29FN6O2
Molecular Weight500.58 g/mol
Exact Mass500.23
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H29FN6O2/c1-19-26(20-4-3-7-30-17-20)32-23-6-2-5-22(29)25(23)27(19)33-24-16-21(34-8-12-36-13-9-34)18-31-28(24)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33)
InChIKeyNHDOQAIJFBBYLL-UHFFFAOYSA-N
XLogP4.56
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Sovleplenib
CID 71113742
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (CID 50905280) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is Cc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The InChIKey is NHDOQAIJFBBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O2/c1-19-26(20-4-3-7-30-17-20)32-23-6-2-5-22(29)25(23)27(19)33-24-16-21(34-8-12-36-13-9-34)18-31-28(24)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine has a molecular weight of 500.58 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is sourced from PubChem (CID 50905280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).