(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone

C24H21N3O2S — CID 42648256

IUPAC(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1
InChIInChI=1S/C24H21N3O2S/c1-29-16-8-6-15(7-9-16)22(28)23-21(25)20-19(14-10-12-26-13-11-14)17-4-2-3-5-18(17)27-24(20)30-23/h6-13H,2-5,25H2,1H3
InChIKeyIVVADQLORSGXIQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.06
Rot. Bonds4

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

(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 42648256) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
PubChem CID42648256
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1
InChIInChI=1S/C24H21N3O2S/c1-29-16-8-6-15(7-9-16)22(28)23-21(25)20-19(14-10-12-26-13-11-14)17-4-2-3-5-18(17)27-24(20)30-23/h6-13H,2-5,25H2,1H3
InChIKeyIVVADQLORSGXIQ-UHFFFAOYSA-N
XLogP5.06
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone (CID 42648256) is (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1.
What is the InChIKey of (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is IVVADQLORSGXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-29-16-8-6-15(7-9-16)22(28)23-21(25)20-19(14-10-12-26-13-11-14)17-4-2-3-5-18(17)27-24(20)30-23/h6-13H,2-5,25H2,1H3.
What are the key properties of (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 415.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42648256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).