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

C24H23N3OS — CID 1442685

IUPAC(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
InChIInChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
InChIKeyTUDLYWRFLDZAFJ-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.35
Rot. Bonds2

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

(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 1442685) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID1442685
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
InChIInChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
InChIKeyTUDLYWRFLDZAFJ-UHFFFAOYSA-N
XLogP5.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 1442685) is (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is TUDLYWRFLDZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3.
What are the key properties of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 401.54 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 1442685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).