2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide

C18H24N3O2- — CID 58824148

IUPAC2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide
SMILESCC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2cnccc12
InChIInChI=1S/C18H24N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-7,10,13,19H,8-9,11-12H2,1-3H3/q-1
InChIKeyLOSWSQLYVWPVNK-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.83
Rot. Bonds6

About 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide

2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide (PubChem CID 58824148) has the molecular formula C18H24N3O2- and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide.

Molecular Properties

Compound Name2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide
PubChem CID58824148
Molecular FormulaC18H24N3O2-
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide
SMILESCC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2cnccc12
InChIInChI=1S/C18H24N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-7,10,13,19H,8-9,11-12H2,1-3H3/q-1
InChIKeyLOSWSQLYVWPVNK-UHFFFAOYSA-N
XLogP3.83
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide with MolForge

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Related Compounds

tert-butyl 3-[2-aminoethyl(isoquinolin-5-yl)amino]propanoate
CID 58824149
1-[2-(4-tert-butylphenyl)ethyl]-1-isoquinolin-5-ylurea
CID 91562596
ethyl N-(2-bromophenyl)-N-isoquinolin-5-ylcarbamate
CID 91185678
4-(4-fluorophenyl)sulfanyl-N-isoquinolin-5-yl-N-methylbutanamide
CID 46245227
tert-butyl 3-[(2,6-dihydroxybenzoyl)-methylamino]propanoate
CID 122149686
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-isoquinolin-5-yl-4-oxobutanoate
CID 22032681
tert-butyl 3-pyridin-4-ylsulfanylpropanoate
CID 116662596
tert-butyl N-[(2S)-3-(isoquinolin-5-ylamino)-3-oxo-2-phenylpropyl]carbamate
CID 129379308
tert-butyl 2-(3-ethylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 145446449
methyl 4-isoquinolin-5-ylbut-3-enoate
CID 170501081
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931

Frequently Asked Questions

What is the IUPAC name of 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide?
The IUPAC name of 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide (CID 58824148) is 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide.
What is the SMILES notation for 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide?
The canonical SMILES for 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide is CC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2cnccc12.
What is the InChIKey of 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide?
The InChIKey is LOSWSQLYVWPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-7,10,13,19H,8-9,11-12H2,1-3H3/q-1.
What are the key properties of 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide?
2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide has a molecular weight of 314.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[isoquinolin-5-yl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]ethylazanide is sourced from PubChem (CID 58824148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).