(8-benzamidoquinolin-5-yl) propanoate

C19H16N2O3 — CID 132937572

IUPAC(8-benzamidoquinolin-5-yl) propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C19H16N2O3/c1-2-17(22)24-16-11-10-15(18-14(16)9-6-12-20-18)21-19(23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,23)
InChIKeyIIKHYVLJXPTQRV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.80
Rot. Bonds4

About (8-benzamidoquinolin-5-yl) propanoate

(8-benzamidoquinolin-5-yl) propanoate (PubChem CID 132937572) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (8-benzamidoquinolin-5-yl) propanoate.

Molecular Properties

Compound Name(8-benzamidoquinolin-5-yl) propanoate
PubChem CID132937572
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(8-benzamidoquinolin-5-yl) propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C19H16N2O3/c1-2-17(22)24-16-11-10-15(18-14(16)9-6-12-20-18)21-19(23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,23)
InChIKeyIIKHYVLJXPTQRV-UHFFFAOYSA-N
XLogP3.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
CID 132600265
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
N-(5-phenylselanylquinolin-8-yl)benzamide
CID 132548337
[2-benzamido-6-[4-(pyrimidin-2-ylamino)butoxy]phenyl] propanoate;hydrochloride
CID 67661129
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
CID 166216438
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
[8-[(4-fluorobenzoyl)amino]quinolin-5-yl] 4-methylbenzenesulfonate
CID 138976021
quinolin-4-yl propanoate
CID 174834385
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105

Frequently Asked Questions

What is the IUPAC name of (8-benzamidoquinolin-5-yl) propanoate?
The IUPAC name of (8-benzamidoquinolin-5-yl) propanoate (CID 132937572) is (8-benzamidoquinolin-5-yl) propanoate.
What is the SMILES notation for (8-benzamidoquinolin-5-yl) propanoate?
The canonical SMILES for (8-benzamidoquinolin-5-yl) propanoate is CCC(=O)Oc1ccc(NC(=O)c2ccccc2)c2ncccc12.
What is the InChIKey of (8-benzamidoquinolin-5-yl) propanoate?
The InChIKey is IIKHYVLJXPTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-17(22)24-16-11-10-15(18-14(16)9-6-12-20-18)21-19(23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of (8-benzamidoquinolin-5-yl) propanoate?
(8-benzamidoquinolin-5-yl) propanoate has a molecular weight of 320.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzamidoquinolin-5-yl) propanoate is sourced from PubChem (CID 132937572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).