(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C19H21N3O2S — CID 7383462

IUPAC(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2c1
InChIInChI=1S/C19H21N3O2S/c1-11-4-3-7-22(10-11)19(23)17-16(20)14-8-12-5-6-13(24-2)9-15(12)21-18(14)25-17/h5-6,8-9,11H,3-4,7,10,20H2,1-2H3/t11-/m0/s1
InChIKeyJRQUOROLFPHGMS-NSHDSACASA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds2

About (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 7383462) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID7383462
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2c1
InChIInChI=1S/C19H21N3O2S/c1-11-4-3-7-22(10-11)19(23)17-16(20)14-8-12-5-6-13(24-2)9-15(12)21-18(14)25-17/h5-6,8-9,11H,3-4,7,10,20H2,1-2H3/t11-/m0/s1
InChIKeyJRQUOROLFPHGMS-NSHDSACASA-N
XLogP3.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1374535
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 3207404
(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-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23999169
(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 81036363
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674329

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 7383462) is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is COc1ccc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2c1.
What is the InChIKey of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is JRQUOROLFPHGMS-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-4-3-7-22(10-11)19(23)17-16(20)14-8-12-5-6-13(24-2)9-15(12)21-18(14)25-17/h5-6,8-9,11H,3-4,7,10,20H2,1-2H3/t11-/m0/s1.
What are the key properties of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 3.91, 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)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 7383462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).