1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

C18H22N2O4 — CID 125495422

IUPAC1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@H]3CCOC3)nccc2cc1C(N)=O
InChIInChI=1S/C18H22N2O4/c1-11(2)24-16-8-14-13(7-15(16)17(19)21)3-5-20-18(14)23-10-12-4-6-22-9-12/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H2,19,21)/t12-/m0/s1
InChIKeyCLFIDOLLOJDRHV-LBPRGKRZSA-N
MW330.38 g/mol
LogP2.54
Rot. Bonds6

About 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 125495422) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID125495422
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@H]3CCOC3)nccc2cc1C(N)=O
InChIInChI=1S/C18H22N2O4/c1-11(2)24-16-8-14-13(7-15(16)17(19)21)3-5-20-18(14)23-10-12-4-6-22-9-12/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H2,19,21)/t12-/m0/s1
InChIKeyCLFIDOLLOJDRHV-LBPRGKRZSA-N
XLogP2.54
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-2-ylmethoxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972445
1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 126639424
1-[[(2S,4R)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414884
1-[[(2S,4S)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414742
1-[(4-ethyl-5-oxopyrrolidin-2-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972371
1-[[(2S,4R)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414670
1-[[(2S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214164
1-[2-[(2S)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214180
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yloxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 144937044
1-[2-[(2S)-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 139460860
1-[[(1S)-4-oxo-3-azabicyclo[3.1.0]hexan-1-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 139298140
[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
CID 146586192

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 125495422) is 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(OC[C@H]3CCOC3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is CLFIDOLLOJDRHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(2)24-16-8-14-13(7-15(16)17(19)21)3-5-20-18(14)23-10-12-4-6-22-9-12/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 125495422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).