N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide

C20H15FN2O2S — CID 6619386

IUPACN-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCc4ccc(F)cc4)sc3nc2c1
InChIInChI=1S/C20H15FN2O2S/c1-25-16-7-4-13-8-14-9-18(26-20(14)23-17(13)10-16)19(24)22-11-12-2-5-15(21)6-3-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCNSKXDGXPVUHNE-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.53
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 6619386) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID6619386
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC NameN-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCc4ccc(F)cc4)sc3nc2c1
InChIInChI=1S/C20H15FN2O2S/c1-25-16-7-4-13-8-14-9-18(26-20(14)23-17(13)10-16)19(24)22-11-12-2-5-15(21)6-3-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCNSKXDGXPVUHNE-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 6619386) is N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NCc4ccc(F)cc4)sc3nc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is CNSKXDGXPVUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-25-16-7-4-13-8-14-9-18(26-20(14)23-17(13)10-16)19(24)22-11-12-2-5-15(21)6-3-12/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 6619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).