1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

C19H23N3O4 — CID 118414316

IUPAC1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@]3(C)CCC(=O)N3)nccc2cc1C(N)=O
InChIInChI=1S/C19H23N3O4/c1-11(2)26-15-9-13-12(8-14(15)17(20)24)5-7-21-18(13)25-10-19(3)6-4-16(23)22-19/h5,7-9,11H,4,6,10H2,1-3H3,(H2,20,24)(H,22,23)/t19-/m1/s1
InChIKeyWUFUJVBGNHTMFY-LJQANCHMSA-N
MW357.41 g/mol
LogP2.17
Rot. Bonds6

About 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 118414316) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID118414316
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@]3(C)CCC(=O)N3)nccc2cc1C(N)=O
InChIInChI=1S/C19H23N3O4/c1-11(2)26-15-9-13-12(8-14(15)17(20)24)5-7-21-18(13)25-10-19(3)6-4-16(23)22-19/h5,7-9,11H,4,6,10H2,1-3H3,(H2,20,24)(H,22,23)/t19-/m1/s1
InChIKeyWUFUJVBGNHTMFY-LJQANCHMSA-N
XLogP2.17
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 118414316) is 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(OC[C@@]3(C)CCC(=O)N3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is WUFUJVBGNHTMFY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(2)26-15-9-13-12(8-14(15)17(20)24)5-7-21-18(13)25-10-19(3)6-4-16(23)22-19/h5,7-9,11H,4,6,10H2,1-3H3,(H2,20,24)(H,22,23)/t19-/m1/s1.
What are the key properties of 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 118414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).