6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C27H24F2N6O3 — CID 139557064

IUPAC6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C27H24F2N6O3/c1-36-24-12-18(3-7-23(24)38-16-17-2-4-22(27(28)29)31-14-17)33-20-5-6-21-26(19(20)13-30)34-25(15-32-21)35-8-10-37-11-9-35/h2-7,12,14-15,27,33H,8-11,16H2,1H3
InChIKeyNODMODCLSXJPMW-UHFFFAOYSA-N
MW518.52 g/mol
LogP5.00
Rot. Bonds8

About 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 139557064) has the molecular formula C27H24F2N6O3 and a molecular weight of 518.52 g/mol. Its IUPAC name is 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID139557064
Molecular FormulaC27H24F2N6O3
Molecular Weight518.52 g/mol
Exact Mass518.19
IUPAC Name6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C27H24F2N6O3/c1-36-24-12-18(3-7-23(24)38-16-17-2-4-22(27(28)29)31-14-17)33-20-5-6-21-26(19(20)13-30)34-25(15-32-21)35-8-10-37-11-9-35/h2-7,12,14-15,27,33H,8-11,16H2,1H3
InChIKeyNODMODCLSXJPMW-UHFFFAOYSA-N
XLogP5.00
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile with MolForge

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Related Compounds

Enrupatinib
CID 134442338
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
3-fluoro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]quinazolin-4-yl}amino)benzonitrile
CID 5329034
3-[2-(morpholin-4-yl)ethyl]-8-[(3,4,5-trimethoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330124
1-Cyano-2-[6-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxyhexyl]-3-pyridin-3-ylguanidine
CID 147735525
1-Cyano-2-[5-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypentyl]-3-pyridin-3-ylguanidine
CID 148451918
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
CID 9871170
N-(4-cyanophenyl)-4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 9915808
N-(4-cyanophenyl)-4-[7-(2-methoxyethoxy)-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10187829
4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-trifluoromethyl-pyridin-3-ylmethyl)-amide
CID 10189022
N2-(3,4-dimethoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10270679
4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
CID 10280082

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 139557064) is 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C(F)F)nc1.
What is the InChIKey of 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is NODMODCLSXJPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O3/c1-36-24-12-18(3-7-23(24)38-16-17-2-4-22(27(28)29)31-14-17)33-20-5-6-21-26(19(20)13-30)34-25(15-32-21)35-8-10-37-11-9-35/h2-7,12,14-15,27,33H,8-11,16H2,1H3.
What are the key properties of 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 518.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 139557064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).