N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide

C19H18ClN3O2 — CID 164865703

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccn1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H18ClN3O2/c1-2-6-16(24)23-17(15-8-3-4-9-21-15)13-11-14(20)12-7-5-10-22-18(12)19(13)25/h3-5,7-11,17,25H,2,6H2,1H3,(H,23,24)
InChIKeyFJXYDRAEYQKKFE-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.99
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide (PubChem CID 164865703) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
PubChem CID164865703
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccn1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H18ClN3O2/c1-2-6-16(24)23-17(15-8-3-4-9-21-15)13-11-14(20)12-7-5-10-22-18(12)19(13)25/h3-5,7-11,17,25H,2,6H2,1H3,(H,23,24)
InChIKeyFJXYDRAEYQKKFE-UHFFFAOYSA-N
XLogP3.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.99
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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Related Compounds

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 40500663
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
2-(4-tert-butylanilino)-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 24961826
N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865676
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 67171823
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide (CID 164865703) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide is CCCC(=O)NC(c1ccccn1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide?
The InChIKey is FJXYDRAEYQKKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-2-6-16(24)23-17(15-8-3-4-9-21-15)13-11-14(20)12-7-5-10-22-18(12)19(13)25/h3-5,7-11,17,25H,2,6H2,1H3,(H,23,24).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide has a molecular weight of 355.82 g/mol, XLogP of 3.99, 5 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)-pyridin-2-ylmethyl]butanamide is sourced from PubChem (CID 164865703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).