N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide

C21H17N3O3S — CID 1015041

IUPACN-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3nc2c1
InChIInChI=1S/C21H17N3O3S/c1-11(25)12-3-6-14(7-4-12)23-20(26)19-18(22)16-9-13-5-8-15(27-2)10-17(13)24-21(16)28-19/h3-10H,22H2,1-2H3,(H,23,26)
InChIKeyMHTVHIAIKHCXBL-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.50
Rot. Bonds4

About N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide

N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1015041) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID1015041
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3nc2c1
InChIInChI=1S/C21H17N3O3S/c1-11(25)12-3-6-14(7-4-12)23-20(26)19-18(22)16-9-13-5-8-15(27-2)10-17(13)24-21(16)28-19/h3-10H,22H2,1-2H3,(H,23,26)
InChIKeyMHTVHIAIKHCXBL-UHFFFAOYSA-N
XLogP4.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

VU0152100
CID 864492
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine
CID 2345204
5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5302633
(3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(3,4-dimethoxyphenyl)methanone
CID 24109216
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
3-amino-N-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003845

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 1015041) is N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3nc2c1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is MHTVHIAIKHCXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-11(25)12-3-6-14(7-4-12)23-20(26)19-18(22)16-9-13-5-8-15(27-2)10-17(13)24-21(16)28-19/h3-10H,22H2,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).