(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone

C18H19N3O2S — CID 865126

IUPAC(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-12-6-5-11-9-13-15(19)16(24-17(13)20-14(11)10-12)18(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,19H2,1H3
InChIKeyQYXJMAHRJZXLRY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.67
Rot. Bonds2

About (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone (PubChem CID 865126) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
PubChem CID865126
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-12-6-5-11-9-13-15(19)16(24-17(13)20-14(11)10-12)18(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,19H2,1H3
InChIKeyQYXJMAHRJZXLRY-UHFFFAOYSA-N
XLogP3.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 7383462
(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
CID 43812047
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1374535
(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
CID 1442782
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 3207404
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone
CID 23999189
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
CID 797224
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81300975
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 81301846
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone (CID 865126) is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone is COc1ccc2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2c1.
What is the InChIKey of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is QYXJMAHRJZXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-12-6-5-11-9-13-15(19)16(24-17(13)20-14(11)10-12)18(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,19H2,1H3.
What are the key properties of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 865126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).