N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide

C15H17N3O2 — CID 79394641

IUPACN-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide
SMILESO=C(CCNc1cc2ccccc2c(=O)[nH]1)NC1CC1
InChIInChI=1S/C15H17N3O2/c19-14(17-11-5-6-11)7-8-16-13-9-10-3-1-2-4-12(10)15(20)18-13/h1-4,9,11H,5-8H2,(H,17,19)(H2,16,18,20)
InChIKeyQLBVEQZVZNAWMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.61
Rot. Bonds5

About N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide

N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide (PubChem CID 79394641) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide
PubChem CID79394641
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide
SMILESO=C(CCNc1cc2ccccc2c(=O)[nH]1)NC1CC1
InChIInChI=1S/C15H17N3O2/c19-14(17-11-5-6-11)7-8-16-13-9-10-3-1-2-4-12(10)15(20)18-13/h1-4,9,11H,5-8H2,(H,17,19)(H2,16,18,20)
InChIKeyQLBVEQZVZNAWMJ-UHFFFAOYSA-N
XLogP1.61
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylamino)-2H-isoquinolin-1-one
CID 60922442
3-(2-pyrrolidin-1-ylethylamino)-2H-isoquinolin-1-one
CID 62642560
3-[(1-methylpyrrolidin-3-yl)methylamino]-2H-isoquinolin-1-one
CID 54939297
3-[(1-ethylpiperidin-4-yl)amino]-2H-isoquinolin-1-one
CID 61039289
3-[(1-oxo-2H-isoquinolin-3-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 76685129
3-[2-(trifluoromethylsulfanyl)ethylamino]-2H-isoquinolin-1-one
CID 106431189
3-(hex-5-ynylamino)-2H-isoquinolin-1-one
CID 114159174
3-[(6-oxopiperidin-3-yl)amino]-2H-isoquinolin-1-one
CID 55233474
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
3-[(3,5-dimethylcyclohexyl)amino]-2H-isoquinolin-1-one
CID 64732303
3-[(1-methylcyclopropyl)methylamino]-2H-isoquinolin-1-one
CID 114100793

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide (CID 79394641) is N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide is O=C(CCNc1cc2ccccc2c(=O)[nH]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide?
The InChIKey is QLBVEQZVZNAWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(17-11-5-6-11)7-8-16-13-9-10-3-1-2-4-12(10)15(20)18-13/h1-4,9,11H,5-8H2,(H,17,19)(H2,16,18,20).
What are the key properties of N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide?
N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide is sourced from PubChem (CID 79394641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).