4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene

C28H30N4O4S — CID 174445259

IUPAC4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC.N#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1N
InChIInChI=1S/C19H18N4OS.C9H12O3/c20-9-15-10-22-18-8-13(1-2-17(18)19(15)21)14-7-16(25-12-14)11-23-3-5-24-6-4-23;1-10-7-5-4-6-8(11-2)9(7)12-3/h1-2,7-8,10,12H,3-6,11H2,(H2,21,22);4-6H,1-3H3
InChIKeyRAQJQFHHNYTALQ-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.96
Rot. Bonds6

About 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene

4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene (PubChem CID 174445259) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene
PubChem CID174445259
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC Name4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC.N#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1N
InChIInChI=1S/C19H18N4OS.C9H12O3/c20-9-15-10-22-18-8-13(1-2-17(18)19(15)21)14-7-16(25-12-14)11-23-3-5-24-6-4-23;1-10-7-5-4-6-8(11-2)9(7)12-3/h1-2,7-8,10,12H,3-6,11H2,(H2,21,22);4-6H,1-3H3
InChIKeyRAQJQFHHNYTALQ-UHFFFAOYSA-N
XLogP4.96
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 91379739
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 23438055
7-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 23438309
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
2-(morpholin-4-ylmethyl)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330119
2-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 91509401
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile
CID 23438217
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile
CID 11541124
4-(3-chloro-4-phenoxyanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile
CID 23438376
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
CID 66632477
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene?
The IUPAC name of 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene (CID 174445259) is 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene.
What is the SMILES notation for 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene?
The canonical SMILES for 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene is COc1cccc(OC)c1OC.N#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1N.
What is the InChIKey of 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene?
The InChIKey is RAQJQFHHNYTALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS.C9H12O3/c20-9-15-10-22-18-8-13(1-2-17(18)19(15)21)14-7-16(25-12-14)11-23-3-5-24-6-4-23;1-10-7-5-4-6-8(11-2)9(7)12-3/h1-2,7-8,10,12H,3-6,11H2,(H2,21,22);4-6H,1-3H3.
What are the key properties of 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene?
4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene has a molecular weight of 518.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene is sourced from PubChem (CID 174445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).