(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone

C21H17N3OS — CID 1442723

IUPAC(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc12
InChIInChI=1S/C21H17N3OS/c1-12-5-4-7-14-11-15-17(22)19(26-20(15)23-18(12)14)21(25)24-10-9-13-6-2-3-8-16(13)24/h2-8,11H,9-10,22H2,1H3
InChIKeySHEIJKBDSFBYIO-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.54
Rot. Bonds1

About (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone

(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 1442723) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID1442723
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc12
InChIInChI=1S/C21H17N3OS/c1-12-5-4-7-14-11-15-17(22)19(26-20(15)23-18(12)14)21(25)24-10-9-13-6-2-3-8-16(13)24/h2-8,11H,9-10,22H2,1H3
InChIKeySHEIJKBDSFBYIO-UHFFFAOYSA-N
XLogP4.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone (CID 1442723) is (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone is Cc1cccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc12.
What is the InChIKey of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SHEIJKBDSFBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-12-5-4-7-14-11-15-17(22)19(26-20(15)23-18(12)14)21(25)24-10-9-13-6-2-3-8-16(13)24/h2-8,11H,9-10,22H2,1H3.
What are the key properties of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 359.45 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 1442723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).