[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C22H24N4O3S — CID 23999159

IUPAC[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1CCc2nc3sc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(N)c3cc2C1
InChIInChI=1S/C22H24N4O3S/c1-13-4-5-16-14(11-13)12-15-18(23)19(30-20(15)24-16)22(28)26-8-6-25(7-9-26)21(27)17-3-2-10-29-17/h2-3,10,12-13H,4-9,11,23H2,1H3
InChIKeyYAPFHRSMJFGSNZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.19
Rot. Bonds2

About [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 23999159) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID23999159
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1CCc2nc3sc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(N)c3cc2C1
InChIInChI=1S/C22H24N4O3S/c1-13-4-5-16-14(11-13)12-15-18(23)19(30-20(15)24-16)22(28)26-8-6-25(7-9-26)21(27)17-3-2-10-29-17/h2-3,10,12-13H,4-9,11,23H2,1H3
InChIKeyYAPFHRSMJFGSNZ-UHFFFAOYSA-N
XLogP3.19
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 23802459
furan-2-yl-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 17432756
[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23915434
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 16515814
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1025352
3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23772164
3-amino-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 21232418
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone
CID 23999189
ethyl 4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazine-1-carboxylate
CID 23859609
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 25042139
(7S)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2463659

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 23999159) is [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CC1CCc2nc3sc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(N)c3cc2C1.
What is the InChIKey of [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YAPFHRSMJFGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13-4-5-16-14(11-13)12-15-18(23)19(30-20(15)24-16)22(28)26-8-6-25(7-9-26)21(27)17-3-2-10-29-17/h2-3,10,12-13H,4-9,11,23H2,1H3.
What are the key properties of [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 424.53 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 23999159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).