4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

C18H21N3O4 — CID 138726883

IUPAC4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@H]3CCC(=O)N3)ccnc2cc1C(N)=O
InChIInChI=1S/C18H21N3O4/c1-10(2)25-16-8-12-14(7-13(16)18(19)23)20-6-5-15(12)24-9-11-3-4-17(22)21-11/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t11-/m1/s1
InChIKeyCMGQVHQDTFLSSH-LLVKDONJSA-N
MW343.38 g/mol
LogP1.78
Rot. Bonds6

About 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 138726883) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID138726883
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@H]3CCC(=O)N3)ccnc2cc1C(N)=O
InChIInChI=1S/C18H21N3O4/c1-10(2)25-16-8-12-14(7-13(16)18(19)23)20-6-5-15(12)24-9-11-3-4-17(22)21-11/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t11-/m1/s1
InChIKeyCMGQVHQDTFLSSH-LLVKDONJSA-N
XLogP1.78
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (CID 138726883) is 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(OC[C@H]3CCC(=O)N3)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is CMGQVHQDTFLSSH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(2)25-16-8-12-14(7-13(16)18(19)23)20-6-5-15(12)24-9-11-3-4-17(22)21-11/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 138726883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).