8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C28H28ClFN6O2 — CID 59631498

IUPAC8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(Cl)c(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H28ClFN6O2/c1-18-25(20-5-6-21(30)24(29)27(20)34-26(18)22-4-2-3-7-31-22)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34)
InChIKeyYRSVYQZIIMQDCO-UHFFFAOYSA-N
MW535.02 g/mol
LogP5.21
Rot. Bonds5

About 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631498) has the molecular formula C28H28ClFN6O2 and a molecular weight of 535.02 g/mol. Its IUPAC name is 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631498
Molecular FormulaC28H28ClFN6O2
Molecular Weight535.02 g/mol
Exact Mass534.19
IUPAC Name8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(Cl)c(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H28ClFN6O2/c1-18-25(20-5-6-21(30)24(29)27(20)34-26(18)22-4-2-3-7-31-22)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34)
InChIKeyYRSVYQZIIMQDCO-UHFFFAOYSA-N
XLogP5.21
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.02
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-chloro-N-(2,5-dimorpholin-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

Seletalisib
CID 56928390
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6-morpholin-4-ylpyridin-2-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758463
N-(2-chloro-6-methylphenyl)-12-morpholin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9908658
4-(3-Chloro-4-fluoro-phenylamino)-6-(2-morpholin-4-yl-ethylamino)-1,7-naphthyridine-3-carbonitrile
CID 44143344
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-[(E)-4-morpholin-4-ylbut-1-enyl]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564527
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
N-(2-chloro-6-methylphenyl)-1-(6-(5-(2-morpholinoethyl)pyridin-2-ylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-amine
CID 15949887
N2-(4-morpholinophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826972
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
5-chloro-N4-((S)-1-(8-chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)pyrimidine-2,4-diamine
CID 24944522
N-(2-chloro-6-methylphenyl)-1-(6-(4-(morpholinomethyl)pyridin-2-ylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-amine
CID 25110690

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631498) is 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2c(Cl)c(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is YRSVYQZIIMQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN6O2/c1-18-25(20-5-6-21(30)24(29)27(20)34-26(18)22-4-2-3-7-31-22)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34).
What are the key properties of 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 535.02 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).