7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide

C19H22FN3O3 — CID 70773805

IUPAC7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c2ccc(F)cc2n1
InChIInChI=1S/C19H22FN3O3/c1-12-8-15(14-3-2-13(20)9-16(14)21-12)19(24)22-17-10-26-11-18(17)23-4-6-25-7-5-23/h2-3,8-9,17-18H,4-7,10-11H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyOWINWABBPDVMRQ-ROUUACIJSA-N
MW359.40 g/mol
LogP1.51
Rot. Bonds3

About 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide (PubChem CID 70773805) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide
PubChem CID70773805
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c2ccc(F)cc2n1
InChIInChI=1S/C19H22FN3O3/c1-12-8-15(14-3-2-13(20)9-16(14)21-12)19(24)22-17-10-26-11-18(17)23-4-6-25-7-5-23/h2-3,8-9,17-18H,4-7,10-11H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyOWINWABBPDVMRQ-ROUUACIJSA-N
XLogP1.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide (CID 70773805) is 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide is Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide?
The InChIKey is OWINWABBPDVMRQ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-8-15(14-3-2-13(20)9-16(14)21-12)19(24)22-17-10-26-11-18(17)23-4-6-25-7-5-23/h2-3,8-9,17-18H,4-7,10-11H2,1H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 70773805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).