N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide

C19H19ClN2O2S — CID 2928736

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
SMILESCCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H19ClN2O2S/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23)
InChIKeyYXHNNUCABLCYSD-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.05
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide (PubChem CID 2928736) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
PubChem CID2928736
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
SMILESCCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H19ClN2O2S/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23)
InChIKeyYXHNNUCABLCYSD-UHFFFAOYSA-N
XLogP5.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide (CID 2928736) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide is CCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide?
The InChIKey is YXHNNUCABLCYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide has a molecular weight of 374.89 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide is sourced from PubChem (CID 2928736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).