2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one

C17H18N2O3 — CID 171704289

IUPAC2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C17H18N2O3/c20-16-14-4-2-1-3-12(14)11-15(19(16)13-5-6-13)17(21)18-7-9-22-10-8-18/h1-4,11,13H,5-10H2
InChIKeyFJHXFZMAKMJAPE-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.81
Rot. Bonds2

About 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one

2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one (PubChem CID 171704289) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one
PubChem CID171704289
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C17H18N2O3/c20-16-14-4-2-1-3-12(14)11-15(19(16)13-5-6-13)17(21)18-7-9-22-10-8-18/h1-4,11,13H,5-10H2
InChIKeyFJHXFZMAKMJAPE-UHFFFAOYSA-N
XLogP1.81
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-oxoisoquinoline-3-carboxamide
CID 171704244
3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 8979691
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 178155447
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)benzo[h]chromen-2-one
CID 102583180
3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
CID 175300305
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid
CID 82239950
(4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)-morpholin-4-ylmethanone
CID 17243694
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one (CID 171704289) is 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one is O=C(c1cc2ccccc2c(=O)n1C1CC1)N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one?
The InChIKey is FJHXFZMAKMJAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-14-4-2-1-3-12(14)11-15(19(16)13-5-6-13)17(21)18-7-9-22-10-8-18/h1-4,11,13H,5-10H2.
What are the key properties of 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one?
2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one has a molecular weight of 298.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 171704289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).