N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

C17H15N3O3 — CID 167879450

IUPACN-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(CCO)ccn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c21-8-6-11-5-7-18-15(9-11)20-17(23)13-10-16(22)19-14-4-2-1-3-12(13)14/h1-5,7,9-10,21H,6,8H2,(H,19,22)(H,18,20,23)
InChIKeyUMOWTQQURDXXFU-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.71
Rot. Bonds4

About N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 167879450) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID167879450
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(CCO)ccn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c21-8-6-11-5-7-18-15(9-11)20-17(23)13-10-16(22)19-14-4-2-1-3-12(13)14/h1-5,7,9-10,21H,6,8H2,(H,19,22)(H,18,20,23)
InChIKeyUMOWTQQURDXXFU-UHFFFAOYSA-N
XLogP1.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 167879450) is N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(CCO)ccn1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is UMOWTQQURDXXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-8-6-11-5-7-18-15(9-11)20-17(23)13-10-16(22)19-14-4-2-1-3-12(13)14/h1-5,7,9-10,21H,6,8H2,(H,19,22)(H,18,20,23).
What are the key properties of N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 167879450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).