1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one

C18H21N3OS — CID 147081982

IUPAC1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12
InChIInChI=1S/C18H21N3OS/c1-4-16(22)12-5-6-13-15(11-12)20-18(19-8-9-21(2)3)14-7-10-23-17(13)14/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,20)
InChIKeyBHCHYBBXRDIAAP-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one

1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one (PubChem CID 147081982) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
PubChem CID147081982
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12
InChIInChI=1S/C18H21N3OS/c1-4-16(22)12-5-6-13-15(11-12)20-18(19-8-9-21(2)3)14-7-10-23-17(13)14/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,20)
InChIKeyBHCHYBBXRDIAAP-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
CID 160560333
4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
CID 89148329
N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride
CID 11577315
N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide
CID 70968965
1-[4-[4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-(4-fluorophenyl)urea
CID 118711316
sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
CID 172712956
N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638450
4-[(3,5-difluorocyclohexa-1,3-dien-1-yl)amino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 70961674
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
CID 121453101
1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one
CID 135499784
1-[4-[4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 141467363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one (CID 147081982) is 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one is CCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one?
The InChIKey is BHCHYBBXRDIAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-4-16(22)12-5-6-13-15(11-12)20-18(19-8-9-21(2)3)14-7-10-23-17(13)14/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one?
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one has a molecular weight of 327.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one is sourced from PubChem (CID 147081982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).