(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H19N3OS — CID 1156700

IUPAC(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1
InChIInChI=1S/C22H19N3OS/c1-13-8-9-17-15(11-13)12-16-19(23)20(27-21(16)24-17)22(26)25-10-4-6-14-5-2-3-7-18(14)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3
InChIKeyNMPVSDBWSXTGCM-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.93
Rot. Bonds1

About (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1156700) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1156700
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1
InChIInChI=1S/C22H19N3OS/c1-13-8-9-17-15(11-13)12-16-19(23)20(27-21(16)24-17)22(26)25-10-4-6-14-5-2-3-7-18(14)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3
InChIKeyNMPVSDBWSXTGCM-UHFFFAOYSA-N
XLogP4.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1156700) is (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NMPVSDBWSXTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-13-8-9-17-15(11-13)12-16-19(23)20(27-21(16)24-17)22(26)25-10-4-6-14-5-2-3-7-18(14)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3.
What are the key properties of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1156700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).