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

C18H16N2OS — CID 716890

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H16N2OS/c19-15-13-10-12-8-4-5-9-14(12)20-18(13)22-17(15)16(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,19H2
InChIKeyWPHKBAUMBCUANR-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.99
Rot. Bonds2

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

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone (PubChem CID 716890) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone
PubChem CID716890
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H16N2OS/c19-15-13-10-12-8-4-5-9-14(12)20-18(13)22-17(15)16(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,19H2
InChIKeyWPHKBAUMBCUANR-UHFFFAOYSA-N
XLogP3.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.99
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)-phenylmethanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone (CID 716890) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone?
The InChIKey is WPHKBAUMBCUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c19-15-13-10-12-8-4-5-9-14(12)20-18(13)22-17(15)16(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,19H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone has a molecular weight of 308.41 g/mol, XLogP of 3.99, 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)-phenylmethanone is sourced from PubChem (CID 716890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).