7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol

C19H15N3OS — CID 2977733

IUPAC7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccnc2)c2cccs2)ccc2cccnc12
InChIInChI=1S/C19H15N3OS/c23-19-15(8-7-13-4-1-10-21-17(13)19)18(16-6-3-11-24-16)22-14-5-2-9-20-12-14/h1-12,18,22-23H
InChIKeyYXIFQESPJHWOSI-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.60
Rot. Bonds4

About 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol

7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol (PubChem CID 2977733) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
PubChem CID2977733
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccnc2)c2cccs2)ccc2cccnc12
InChIInChI=1S/C19H15N3OS/c23-19-15(8-7-13-4-1-10-21-17(13)19)18(16-6-3-11-24-16)22-14-5-2-9-20-12-14/h1-12,18,22-23H
InChIKeyYXIFQESPJHWOSI-UHFFFAOYSA-N
XLogP4.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol (CID 2977733) is 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol is Oc1c(C(Nc2cccnc2)c2cccs2)ccc2cccnc12.
What is the InChIKey of 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol?
The InChIKey is YXIFQESPJHWOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19-15(8-7-13-4-1-10-21-17(13)19)18(16-6-3-11-24-16)22-14-5-2-9-20-12-14/h1-12,18,22-23H.
What are the key properties of 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol?
7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol has a molecular weight of 333.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(pyridin-3-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 2977733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).