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

C18H15BrN2OS — CID 1377798

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15BrN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2
InChIKeyUSJRVLYPGMAAMN-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.75
Rot. Bonds2

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

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone (PubChem CID 1377798) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone
PubChem CID1377798
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15BrN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2
InChIKeyUSJRVLYPGMAAMN-UHFFFAOYSA-N
XLogP4.75
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone (CID 1377798) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone is Nc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone?
The InChIKey is USJRVLYPGMAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone has a molecular weight of 387.30 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 1377798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).