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

C19H14ClN3O2S — CID 1374534

IUPAC3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1
InChIInChI=1S/C19H14ClN3O2S/c1-25-11-7-6-10-8-12-16(21)17(26-19(12)23-15(10)9-11)18(24)22-14-5-3-2-4-13(14)20/h2-9H,21H2,1H3,(H,22,24)
InChIKeyXSMBBHDNBFCERJ-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.95
Rot. Bonds3

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

3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1374534) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID1374534
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1
InChIInChI=1S/C19H14ClN3O2S/c1-25-11-7-6-10-8-12-16(21)17(26-19(12)23-15(10)9-11)18(24)22-14-5-3-2-4-13(14)20/h2-9H,21H2,1H3,(H,22,24)
InChIKeyXSMBBHDNBFCERJ-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 1374534) is 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is XSMBBHDNBFCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-25-11-7-6-10-8-12-16(21)17(26-19(12)23-15(10)9-11)18(24)22-14-5-3-2-4-13(14)20/h2-9H,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1374534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).