[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone

C24H19N3O3S — CID 124585248

IUPAC[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
SMILESNc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3
InChIInChI=1S/C24H19N3O3S/c25-21-19-13-17-12-16(14-4-2-1-3-5-14)8-11-20(17)26-24(19)31-23(21)22(28)15-6-9-18(10-7-15)27(29)30/h1-7,9-10,13,16H,8,11-12,25H2/t16-/m1/s1
InChIKeyYPONQXPNSASAQA-MRXNPFEDSA-N
MW429.50 g/mol
LogP5.29
Rot. Bonds4

About [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone

[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone (PubChem CID 124585248) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
PubChem CID124585248
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
SMILESNc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3
InChIInChI=1S/C24H19N3O3S/c25-21-19-13-17-12-16(14-4-2-1-3-5-14)8-11-20(17)26-24(19)31-23(21)22(28)15-6-9-18(10-7-15)27(29)30/h1-7,9-10,13,16H,8,11-12,25H2/t16-/m1/s1
InChIKeyYPONQXPNSASAQA-MRXNPFEDSA-N
XLogP5.29
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-cyanophenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944846
(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23744148
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23997973
3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4074447
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23859661
3-amino-6-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774821
ethyl 2-[(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23830029
3-amino-6-tert-butyl-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23888923
6-amino-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23774785
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561

Frequently Asked Questions

What is the IUPAC name of [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone (CID 124585248) is [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone is Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3.
What is the InChIKey of [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone?
The InChIKey is YPONQXPNSASAQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19N3O3S/c25-21-19-13-17-12-16(14-4-2-1-3-5-14)8-11-20(17)26-24(19)31-23(21)22(28)15-6-9-18(10-7-15)27(29)30/h1-7,9-10,13,16H,8,11-12,25H2/t16-/m1/s1.
What are the key properties of [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone?
[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone has a molecular weight of 429.50 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 124585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).