N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine

C32H32F2N6O2 — CID 59631299

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
SMILESCc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H32F2N6O2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40/h3-6,15-19H,7-14H2,1-2H3,(H,36,37)
InChIKeyAVFHRZJHMJFWAF-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.79
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine (PubChem CID 59631299) has the molecular formula C32H32F2N6O2 and a molecular weight of 570.64 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
PubChem CID59631299
Molecular FormulaC32H32F2N6O2
Molecular Weight570.64 g/mol
Exact Mass570.26
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
SMILESCc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H32F2N6O2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40/h3-6,15-19H,7-14H2,1-2H3,(H,36,37)
InChIKeyAVFHRZJHMJFWAF-UHFFFAOYSA-N
XLogP5.79
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine with MolForge

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Related Compounds

Panulisib
CID 56947515
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
ATM Inhibitor-2
CID 163286323
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 163286354
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373
N-(3-bromophenyl)-8-[2-(morpholin-4-yl)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328289
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
8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 5133615

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine (CID 59631299) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine is Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The InChIKey is AVFHRZJHMJFWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40/h3-6,15-19H,7-14H2,1-2H3,(H,36,37).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine has a molecular weight of 570.64 g/mol, XLogP of 5.79, 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)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine is sourced from PubChem (CID 59631299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).