(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H19N3O2S — CID 1374535

IUPAC(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2c1
InChIInChI=1S/C22H19N3O2S/c1-27-15-9-8-14-11-16-19(23)20(28-21(16)24-17(14)12-15)22(26)25-10-4-6-13-5-2-3-7-18(13)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3
InChIKeyBCSDXJWJSYFMNF-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.63
Rot. Bonds2

About (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1374535) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1374535
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2c1
InChIInChI=1S/C22H19N3O2S/c1-27-15-9-8-14-11-16-19(23)20(28-21(16)24-17(14)12-15)22(26)25-10-4-6-13-5-2-3-7-18(13)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3
InChIKeyBCSDXJWJSYFMNF-UHFFFAOYSA-N
XLogP4.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
4-(3-amino-7-methoxythieno[2,3-b]quinoline-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 3207404
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 7383462
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 59467896
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 23999221
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
CID 5262372
(3-amino-7-methylthieno[2,3-b]quinolin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 3207319
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1374535) is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2c1.
What is the InChIKey of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BCSDXJWJSYFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-15-9-8-14-11-16-19(23)20(28-21(16)24-17(14)12-15)22(26)25-10-4-6-13-5-2-3-7-18(13)25/h2-3,5,7-9,11-12H,4,6,10,23H2,1H3.
What are the key properties of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 4.63, 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)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1374535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).